Basic information
- CAS
22954-18-3- Standard SMILES
O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1ccc(Cl)cc1- InChIKey
AVCQZLIKYAQLME-UHFFFAOYSA-N- Molecular formula
- C17H16Br2ClNO2
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 458.92363
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-bromoethyl)amino)-, p-chlorobenzoate
- IUPAC
- [4-[bis(2-bromoethyl)amino]phenyl] 4-chlorobenzoate
- English name
- [4-(bis(2-bromoethyl)amino)phenyl] 4-chlorobenzoate
- Molecular formula
- C17H16Br2ClNO2
- Molecular weight
- 0
Names & synonyms
22954-18-3BRN 3067735p-(Bis(2-bromoethyl)amino)phenyl p-chlorobenzoatep-(Bis(2-bromoethyl)amino)phenol p-chlorobenzoatePhenol, p-(bis(2-bromoethyl)amino)-, p-chlorobenzoateBenzoic acid, p-chloro-, p-(bis(2-bromoethyl)amino)phenyl esterRefChem:3694244-[bis(2-bromoethyl)amino]phenyl 4-chlorobenzoate[4-[bis(2-bromoethyl)amino]phenyl] 4-chlorobenzoateCHEMBL3246939DTXSID10945650p-[Bis(2-bromoethyl)amino]phenyl=p-chlorobenzoate
Show more names
[4-(bis(2-bromoethyl)amino)phenyl] 4-chlorobenzoate
Database identifiers
- CAS
22954-18-3- PubChem CID
- 89936
- DTXSID
DTXSID10945650- ChEMBL
CHEMBL3246939
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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