Basic information
- CAS
13196-60-6- Standard SMILES
O=C(O)C(c1ccccc1)c1ccc(N(CCCl)CCCl)cc1- InChIKey
USFBFTWFQQNCOJ-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2NO2
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.0792842
Names & identifiers
- Preferred name
- {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid
- IUPAC
- 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetic acid
Names & synonyms
13196-60-6{4-[bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acidNSC67132DTXSID80290164NSC-67132DS-0128472-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenyl-acetic acid
Database identifiers
- CAS
13196-60-6- PubChem CID
- 249147
- DTXSID
DTXSID80290164
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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