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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNO3
Molecular Weight 199.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-4-nitrobenzoyl chloride

SMILES

CC1=C(C=CC(=C1)[N+]([O-])=O)C(Cl)=O

InChI

InChIKey=LMDIDOFTXQERLH-UHFFFAOYSA-N
InChI=1S/C8H6ClNO3/c1-5-4-6(10(12)13)2-3-7(5)8(9)11/h2-4H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-Methyl-4-nitrobenzoyl chloride
Systematic Name English
4-Nitro-2-methylbenzoyl chloride
Systematic Name English
Benzoyl chloride, 2-methyl-4-nitro-
Systematic Name English
o-Toluoyl chloride, 4-nitro-
Systematic Name English
Code System Code Type Description
CAS
30459-70-2
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
PRIMARY
PUBCHEM
12846485
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
PRIMARY
FDA UNII
5QGJ24W3A9
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID30511351
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
PRIMARY
NIH
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