2-[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 2-[Bis(2-chloroethyl)amino]benzoic acid

Structure Search

SMILES

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

InChI

InChIKey=UXUKWLCXNDMFIX-UHFFFAOYSA-N

InChI=1S/C11H13Cl2NO2/c12-5-7-14(8-6-13)10-4-2-1-3-9(10)11(15)16/h1-4H,5-8H2,(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 `Sat Dec 16 13:04:53 GMT 2023` Edited by `admin` on `Sat Dec 16 13:04:53 GMT 2023`
Record UNII	ST5N6MSH3H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[Bis(2-chloroethyl)amino]benzoic acid

Systematic Name

English

NSC-260455

Code

English

Benzoic acid, 2-[bis(2-chloroethyl)amino]-

Systematic Name

English

Anthranilic acid, N,N-bis(2-chloroethyl)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50184869

Created by admin on Sat Dec 16 13:04:53 GMT 2023 , Edited by admin on Sat Dec 16 13:04:53 GMT 2023

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CAS

3085-99-2

Created by admin on Sat Dec 16 13:04:53 GMT 2023 , Edited by admin on Sat Dec 16 13:04:53 GMT 2023

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PUBCHEM

18333

Created by admin on Sat Dec 16 13:04:53 GMT 2023 , Edited by admin on Sat Dec 16 13:04:53 GMT 2023

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NSC

260455

Created by admin on Sat Dec 16 13:04:53 GMT 2023 , Edited by admin on Sat Dec 16 13:04:53 GMT 2023

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FDA UNII

ST5N6MSH3H

Created by admin on Sat Dec 16 13:04:53 GMT 2023 , Edited by admin on Sat Dec 16 13:04:53 GMT 2023

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