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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 5-CHLORO-2-NITROBENZOATE

SMILES

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

InChI

InChIKey=JGBJHRKCUKTQOE-UHFFFAOYSA-N
InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(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 22:01:22 GMT 2025
Edited
by admin
on Mon Mar 31 22:01:22 GMT 2025
Record UNII
1T5D4K1V51
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
J47.496G
Preferred Name English
METHYL 5-CHLORO-2-NITROBENZOATE
Systematic Name English
2-NITRO-5-CHLOROBENZOIC ACID METHYL ESTER
Systematic Name English
METHYL 5-CHLORO-2-NITROBENZENECARBOXYLATE
Systematic Name English
5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER
Systematic Name English
BENZOIC ACID, 5-CHLORO-2-NITRO-, METHYL ESTER
Systematic Name English
4-CHLORO-2-METHOXYCARBONYLNITROBENZENE
Systematic Name English
Code System Code Type Description
CAS
51282-49-6
Created by admin on Mon Mar 31 22:01:22 GMT 2025 , Edited by admin on Mon Mar 31 22:01:22 GMT 2025
PRIMARY
FDA UNII
1T5D4K1V51
Created by admin on Mon Mar 31 22:01:22 GMT 2025 , Edited by admin on Mon Mar 31 22:01:22 GMT 2025
PRIMARY
PUBCHEM
171018
Created by admin on Mon Mar 31 22:01:22 GMT 2025 , Edited by admin on Mon Mar 31 22:01:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID5044948
Created by admin on Mon Mar 31 22:01:22 GMT 2025 , Edited by admin on Mon Mar 31 22:01:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
257-107-2
Created by admin on Mon Mar 31 22:01:22 GMT 2025 , Edited by admin on Mon Mar 31 22:01:22 GMT 2025
PRIMARY