U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H13Cl2NO2
Molecular Weight 262.132
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Bis(2-chloroethyl)amino)benzoic acid

SMILES

OC(=O)C1=CC=CC(=C1)N(CCCl)CCCl

InChI

InChIKey=WVXYNWIVVDXMJC-UHFFFAOYSA-N
InChI=1S/C11H13Cl2NO2/c12-4-6-14(7-5-13)10-3-1-2-9(8-10)11(15)16/h1-3,8H,4-7H2,(H,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(Bis(2-chloroethyl)amino)benzoic acid
Systematic Name English
NSC-240365
Code English
m-(Bis(2-chloroethyl)amino)benzoic acid
Systematic Name English
Benzoic acid, m-(bis(2-chloroethyl)amino)-
Systematic Name English
Benzoic acid, 3-(bis(2-chloroethyl)amino)-
Systematic Name English
Code System Code Type Description
CAS
3085-98-1
Created by admin on Sat Dec 16 12:45:29 GMT 2023 , Edited by admin on Sat Dec 16 12:45:29 GMT 2023
PRIMARY
PUBCHEM
18332
Created by admin on Sat Dec 16 12:45:29 GMT 2023 , Edited by admin on Sat Dec 16 12:45:29 GMT 2023
PRIMARY
NSC
240365
Created by admin on Sat Dec 16 12:45:29 GMT 2023 , Edited by admin on Sat Dec 16 12:45:29 GMT 2023
PRIMARY
FDA UNII
253FP6F9Z7
Created by admin on Sat Dec 16 12:45:29 GMT 2023 , Edited by admin on Sat Dec 16 12:45:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID90184868
Created by admin on Sat Dec 16 12:45:29 GMT 2023 , Edited by admin on Sat Dec 16 12:45:29 GMT 2023
PRIMARY