Basic information
- CAS
22954-10-5- Standard SMILES
O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1ccccc1- InChIKey
SWPGGPQCAMUQDY-UHFFFAOYSA-N- Molecular formula
- C17H17Br2NO2
- Average molar mass
- 427.1 g/mol
- Monoisotopic mass
- 424.9626
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-bromoethyl)amino)-, benzoate
- IUPAC
- [4-[bis(2-bromoethyl)amino]phenyl] benzoate
- English name
- [4-(bis(2-bromoethyl)amino)phenyl] benzoate
- Molecular formula
- C17H17Br2NO2
- Molecular weight
- 0
Names & synonyms
22954-10-5BRN 3064421p-(Bis(2-bromoethyl)amino)phenol benzoatep-(Bis(2-bromoethyl)amino)phenyl benzoatePhenol, p-(bis(2-bromoethyl)amino)-, benzoateBenzoic acid, p-(bis(2-bromoethyl)amino)phenyl esterRefChem:369414[4-(bis(2-bromoethyl)amino)phenyl] benzoate[4-[bis(2-bromoethyl)amino]phenyl] benzoate4-[bis(2-bromoethyl)amino]phenyl benzoateCHEMBL3246931DTXSID00945644
Show more names
p-[Bis(2-bromoethyl)amino]phenyl=benzoate
Database identifiers
- CAS
22954-10-5- PubChem CID
- 89930
- DTXSID
DTXSID00945644- ChEMBL
CHEMBL3246931- Nikkaji
- J50.091G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 321
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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