3-[Bis(2-chloroethyl)amino]-4-methoxybenzoic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15Cl2NO3
Molecular Weight	292.158
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[Bis(2-chloroethyl)amino]-4-methoxybenzoic acid

Structure Search

SMILES

COC1=CC=C(C=C1N(CCCl)CCCl)C(O)=O

InChI

InChIKey=PKFSXBZXFYABSS-UHFFFAOYSA-N

InChI=1S/C12H15Cl2NO3/c1-18-11-3-2-9(12(16)17)8-10(11)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C12H15Cl2NO3
Molecular Weight	292.158
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 13:10:33 GMT 2023` Edited by `admin` on `Sat Dec 16 13:10:33 GMT 2023`
Record UNII	TLK455V39J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[Bis(2-chloroethyl)amino]-4-methoxybenzoic acid

Systematic Name

English

NSC-146172

Code

English

p-Anisic acid, 3-[bis(2-chloroethyl)amino]-

Common Name

English

Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methoxy-

Systematic Name

English

Code System Code Type Description

PUBCHEM

32674

Created by admin on Sat Dec 16 13:10:33 GMT 2023 , Edited by admin on Sat Dec 16 13:10:33 GMT 2023

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CAS

24812-96-2

Created by admin on Sat Dec 16 13:10:33 GMT 2023 , Edited by admin on Sat Dec 16 13:10:33 GMT 2023

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EPA CompTox

DTXSID80179506

Created by admin on Sat Dec 16 13:10:33 GMT 2023 , Edited by admin on Sat Dec 16 13:10:33 GMT 2023

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NSC

146172

Created by admin on Sat Dec 16 13:10:33 GMT 2023 , Edited by admin on Sat Dec 16 13:10:33 GMT 2023

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FDA UNII

TLK455V39J

Created by admin on Sat Dec 16 13:10:33 GMT 2023 , Edited by admin on Sat Dec 16 13:10:33 GMT 2023

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