BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER
Basic information
- CAS
24830-50-0- Standard SMILES
COC(=O)c1cccc(N(CCCl)CCCl)c1- InChIKey
PTUQHLMPEYWOFY-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2NO2
- Average molar mass
- 276.16 g/mol
- Monoisotopic mass
- 275.0479841
Names & identifiers
- Preferred name
- BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER
- IUPAC
- methyl 3-[bis(2-chloroethyl)amino]benzoate
- English name
- m-[Bis(2-chloroethyl)amino]benzoic acid methyl ester
- Molecular formula
- C12H15Cl2NO2
- Molecular weight
- 276.16
Names & synonyms
24830-50-0BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTERmethyl 3-[bis(2-chloroethyl)amino]benzoateBRN 2811880m-(Bis(2-chloroethyl)amino)benzoic acid methyl esterSCHEMBL7384565DTXSID80179541PTUQHLMPEYWOFY-UHFFFAOYSA-Nmethyl 3-[N,N-bis(2-chloroethyl)amino]benzoateMethyl 3-((N,N-bis-(2-chloroethyl)amino))benzoatem-[Bis(2-chloroethyl)amino]benzoic acid methyl esterBenzoic acid, 3-[bis(2-chloroethyl)amino]-, methyl ester
Database identifiers
- CAS
24830-50-0- PubChem CID
- 32688
- DTXSID
DTXSID80179541- Nikkaji
- J73.875A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Related reactions
6 records
Compound notes
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