3-(Bis(2-chloroethyl)amino)benzoic acid

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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

Structure Search

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

Molecular Formula	C11H13Cl2NO2
Molecular Weight	262.132
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 `Tue Apr 01 19:44:01 GMT 2025` Edited by `admin` on `Tue Apr 01 19:44:01 GMT 2025`
Record UNII	253FP6F9Z7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(Bis(2-chloroethyl)amino)benzoic acid

Systematic Name

English

NSC-240365

Preferred Name

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 Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025

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PUBCHEM

18332

Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025

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NSC

240365

Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025

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FDA UNII

253FP6F9Z7

Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025

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EPA CompTox

DTXSID90184868

Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025

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