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Details

Stereochemistry ACHIRAL
Molecular Formula C14H8ClNO5
Molecular Weight 305.67
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-CHLORO-3-NITROBENZOYL)BENZOIC ACID

SMILES

OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O

InChI

InChIKey=RITAQDHCJBLSSL-UHFFFAOYSA-N
InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C14H8ClNO5
Molecular Weight 305.67
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 12:25:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:58 GMT 2023
Record UNII
8GY4PM962I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-CHLORO-3-NITROBENZOYL)BENZOIC ACID
Systematic Name English
2-(3-NITRO-4-CHLOROBENZOYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-(4-CHLORO-3-NITROBENZOYL)-
Common Name English
NSC-15366
Code English
Code System Code Type Description
CAS
85-54-1
Created by admin on Sat Dec 16 12:25:58 GMT 2023 , Edited by admin on Sat Dec 16 12:25:58 GMT 2023
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NSC
15366
Created by admin on Sat Dec 16 12:25:58 GMT 2023 , Edited by admin on Sat Dec 16 12:25:58 GMT 2023
PRIMARY
FDA UNII
8GY4PM962I
Created by admin on Sat Dec 16 12:25:58 GMT 2023 , Edited by admin on Sat Dec 16 12:25:58 GMT 2023
PRIMARY
PUBCHEM
66562
Created by admin on Sat Dec 16 12:25:58 GMT 2023 , Edited by admin on Sat Dec 16 12:25:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-613-8
Created by admin on Sat Dec 16 12:25:58 GMT 2023 , Edited by admin on Sat Dec 16 12:25:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID1058925
Created by admin on Sat Dec 16 12:25:58 GMT 2023 , Edited by admin on Sat Dec 16 12:25:58 GMT 2023
PRIMARY