3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15Cl2NO2
Molecular Weight	276.159
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID

Structure Search

SMILES

CC1=CC=C(C=C1N(CCCl)CCCl)C(O)=O

InChI

InChIKey=DKROWFJGHDLNFQ-UHFFFAOYSA-N

InChI=1S/C12H15Cl2NO2/c1-9-2-3-10(12(16)17)8-11(9)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C12H15Cl2NO2
Molecular Weight	276.159
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:09:01 GMT 2023` Edited by `admin` on `Fri Dec 15 17:09:01 GMT 2023`
Record UNII	77139CHG44
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID

Systematic Name

English

BIS-CHLOROETHYLAMINO METHYLBENZOIC ACID

Systematic Name

English

IOB 82

Code

English

Bis-chloroethylamino methylbenzoic acid [WHO-DD]

Common Name

English

BIS(2-CHLOROETHYL)AMINO-4-METHYLBENZOIC ACID, 3-

Common Name

English

BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYL-

Systematic Name

English

3-(N,N'-BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID

Common Name

English

ALKYROM

Brand Name

English

3-(N,N-BIS(2-CHLOROETHYL)AMINO)-P-TOLUIC ACID

Common Name

English

NSC-146171

Code

English

P-TOLUIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-

Systematic Name

English

Code System Code Type Description

CAS

5977-35-5