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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNO4
Molecular Weight 215.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-CHLORO-2-NITROBENZOATE

SMILES

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

InChI

InChIKey=JWOSXVMUUBWGOL-UHFFFAOYSA-N
InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6ClNO4
Molecular Weight 215.591
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 Mon Mar 31 22:14:29 GMT 2025
Edited
by admin
on Mon Mar 31 22:14:29 GMT 2025
Record UNII
UCG337W522
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-CHLORO-2-NITROBENZOATE
Systematic Name English
NSC-17028
Preferred Name English
BENZOIC ACID, 4-CHLORO-2-NITRO-, METHYL ESTER
Systematic Name English
METHYL 2-NITRO-4-CHLOROBENZOATE
Systematic Name English
2-NITRO-4-CHLOROBENZOIC ACID METHYL ESTER
Systematic Name English
4-CHLORO-2-NITROBENZOIC ACID METHYL ESTER
Systematic Name English
Code System Code Type Description
NSC
17028
Created by admin on Mon Mar 31 22:14:29 GMT 2025 , Edited by admin on Mon Mar 31 22:14:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID9022289
Created by admin on Mon Mar 31 22:14:29 GMT 2025 , Edited by admin on Mon Mar 31 22:14:29 GMT 2025
PRIMARY
CAS
42087-80-9
Created by admin on Mon Mar 31 22:14:29 GMT 2025 , Edited by admin on Mon Mar 31 22:14:29 GMT 2025
PRIMARY
ECHA (EC/EINECS)
255-654-1
Created by admin on Mon Mar 31 22:14:29 GMT 2025 , Edited by admin on Mon Mar 31 22:14:29 GMT 2025
PRIMARY
PUBCHEM
39135
Created by admin on Mon Mar 31 22:14:29 GMT 2025 , Edited by admin on Mon Mar 31 22:14:29 GMT 2025
PRIMARY
FDA UNII
UCG337W522
Created by admin on Mon Mar 31 22:14:29 GMT 2025 , Edited by admin on Mon Mar 31 22:14:29 GMT 2025
PRIMARY