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83042-08-4
83042-08-4 | DTXSID60449633

Searched by Molecular Formula: Found 1 result for 'C5H7CrFNO3'.

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Intrinsic Properties

Molecular Formula: C5H7CrFNO3

Average Mass: 200.109 g/mol

Monoisotopic Mass: 199.980954 g/mol

Structural Identifiers

IUPAC Name: Not Found

SMILES: F.O=[Cr](=O)=O.C1=CC=[NH+]C=C1

InChI String: InChI=1S/C5H5N.Cr.FH.3O/c1-2-4-6-5-3-1;;;;;/h1-5H;;1H;;;/p+1

InChIKey: CILFSGMCMJNHGX-UHFFFAOYSA-O

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID60449633 (accessed May 21, 2018), 83042-08-4

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

7.26e-01 (1)

- - - - -

Flash Point

-

20.0 (1)

- - - -

°C

Boiling Point

-

115 (1)

- - - -

°C

Vapor Pressure

-

22.8 (1)

- - - -

mmHg

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

7.26e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

7.26e-01

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

20.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

20.0 °C

Not Available

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

115 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

115 °C

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

22.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

22.8 mmHg

Not Available

Not Available

No Environmental Fate/Transport Properties Found.

Found 1 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
83042-08-4 Active CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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PubChem Articles

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Searched with a similarity threshold of 0.8

Executive Summary

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