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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19Cl2N3O2
Molecular Weight 380.268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Azo-mustard

SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)\N=N\C2=C(C=CC=C2)C(O)=O

InChI

InChIKey=JRQFCUCILBFUNR-QURGRASLSA-N
InChI=1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)/b22-21+

HIDE SMILES / InChI

Molecular Formula C18H19Cl2N3O2
Molecular Weight 380.268
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:34:42 GMT 2025
Edited
by admin
on Mon Mar 31 18:34:42 GMT 2025
Record UNII
NL9BFV3XRT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Azo-mustard
Common Name English
NSC-16498
Preferred Name English
2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Systematic Name English
Benzoic acid, 2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]-
Systematic Name English
Benzoic acid, 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azo]-
Common Name English
Benzoic acid, o-[[4-[(2-chloroethyl)amino]-o-tolyl]azo]-
Common Name English
2?-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene
Systematic Name English
Code System Code Type Description
PUBCHEM
20191
Created by admin on Mon Mar 31 18:34:42 GMT 2025 , Edited by admin on Mon Mar 31 18:34:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID601039000
Created by admin on Mon Mar 31 18:34:42 GMT 2025 , Edited by admin on Mon Mar 31 18:34:42 GMT 2025
PRIMARY
FDA UNII
NL9BFV3XRT
Created by admin on Mon Mar 31 18:34:42 GMT 2025 , Edited by admin on Mon Mar 31 18:34:42 GMT 2025
PRIMARY
NSC
16498
Created by admin on Mon Mar 31 18:34:42 GMT 2025 , Edited by admin on Mon Mar 31 18:34:42 GMT 2025
PRIMARY
CAS
4213-40-5
Created by admin on Mon Mar 31 18:34:42 GMT 2025 , Edited by admin on Mon Mar 31 18:34:42 GMT 2025
PRIMARY