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Details

Stereochemistry RACEMIC
Molecular Formula C11H10ClNO
Molecular Weight 207.656
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-CHLOROPHENYL)-3-OXOPENTANENITRILE

SMILES

CCC(=O)C(C#N)C1=CC=C(Cl)C=C1

InChI

InChIKey=NKRGJBDEEGULAN-UHFFFAOYSA-N
InChI=1S/C11H10ClNO/c1-2-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(4-CHLOROPHENYL)-3-OXOPENTANENITRILE
Systematic Name English
BENZENEACETONITRILE, 4-CHLORO-.ALPHA.-(1-OXOPROPYL)-
Systematic Name English
4-CHLORO-.ALPHA.-(1-OXOPROPYL)BENZENEACETONITRILE
Systematic Name English
(2.XI.)-2-(4-CHLOROPHENYL)-3-OXOPENTANENITRILE
Systematic Name English
PYRIMETHAMINE IMPURITY A [EP IMPURITY]
Systematic Name English
VALERONITRILE, 2-(P-CHLOROPHENYL)-3-OXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
3016971
Created by admin on Sat Dec 16 14:42:43 GMT 2023 , Edited by admin on Sat Dec 16 14:42:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID20970817
Created by admin on Sat Dec 16 14:42:43 GMT 2023 , Edited by admin on Sat Dec 16 14:42:43 GMT 2023
PRIMARY
CAS
55474-40-3
Created by admin on Sat Dec 16 14:42:43 GMT 2023 , Edited by admin on Sat Dec 16 14:42:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-656-3
Created by admin on Sat Dec 16 14:42:43 GMT 2023 , Edited by admin on Sat Dec 16 14:42:43 GMT 2023
PRIMARY
FDA UNII
T3A59YLW65
Created by admin on Sat Dec 16 14:42:43 GMT 2023 , Edited by admin on Sat Dec 16 14:42:43 GMT 2023
PRIMARY
NIH
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