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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClN
Molecular Weight 151.593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-4-methylbenzonitrile

SMILES

CC1=C(Cl)C=C(C=C1)C#N

InChI

InChIKey=INEMHABDFCKBID-UHFFFAOYSA-N
InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6ClN
Molecular Weight 151.593
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:27:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:58 GMT 2023
Record UNII
9NV76ZQA7A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Chloro-4-methylbenzonitrile
Systematic Name English
Benzonitrile, 3-chloro-4-methyl-
Systematic Name English
3-Chloro-p-toluonitrile
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
244-381-3
Created by admin on Sat Dec 16 12:27:58 GMT 2023 , Edited by admin on Sat Dec 16 12:27:58 GMT 2023
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EPA CompTox
DTXSID50175696
Created by admin on Sat Dec 16 12:27:58 GMT 2023 , Edited by admin on Sat Dec 16 12:27:58 GMT 2023
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FDA UNII
9NV76ZQA7A
Created by admin on Sat Dec 16 12:27:58 GMT 2023 , Edited by admin on Sat Dec 16 12:27:58 GMT 2023
PRIMARY
CAS
21423-81-4
Created by admin on Sat Dec 16 12:27:58 GMT 2023 , Edited by admin on Sat Dec 16 12:27:58 GMT 2023
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PUBCHEM
88894
Created by admin on Sat Dec 16 12:27:58 GMT 2023 , Edited by admin on Sat Dec 16 12:27:58 GMT 2023
PRIMARY