Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate
Basic information
- CAS
22953-45-3- Standard SMILES
O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1ccc(-c2ccccc2)cc1- InChIKey
IUUDHOBDQKMUFS-UHFFFAOYSA-N- Molecular formula
- C23H21Br2NO2
- Average molar mass
- 503.2 g/mol
- Monoisotopic mass
- 500.9939
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate
- IUPAC
- [4-[bis(2-bromoethyl)amino]phenyl] 4-phenylbenzoate
- English name
- p-[Bis(2-bromoethyl)amino]phenyl=4-biphenylcarboxylate
- Molecular formula
- C23H21Br2NO2
- Molecular weight
- 503.22634
Names & synonyms
BRN 3068925p-(Bis(2-bromoethyl)amino)phenyl p-phenylbenzoate22953-45-3p-(Bis(2-bromoethyl)amino)phenol p-phenylbenzoatePhenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoateBenzoic acid, p-phenyl-, p-(bis(2-bromoethyl)amino)phenyl esterRefChem:369427p-[Bis(2-bromoethyl)amino]phenyl=4-biphenylcarboxylateDTXSID309456374-[Bis(2-bromoethyl)amino]phenyl [1,1'-biphenyl]-4-carboxylate
Database identifiers
- CAS
22953-45-3- PubChem CID
- 89921
- DTXSID
DTXSID30945637- Nikkaji
- J50.104B
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 448
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Related reactions
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Compound notes
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