Basic information
- CAS
22954-19-4- Standard SMILES
COc1cccc(C(=O)Oc2ccc(N(CCBr)CCBr)cc2)c1- InChIKey
GWQUZVAKPOUIRG-UHFFFAOYSA-N- Molecular formula
- C18H19Br2NO3
- Average molar mass
- 457.2 g/mol
- Monoisotopic mass
- 454.97317
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-bromoethyl)amino)-, m-methoxybenzoate
- IUPAC
- [4-[bis(2-bromoethyl)amino]phenyl] 3-methoxybenzoate
- English name
- p-(Bis(2-bromoethyl)amino)phenol m-methoxybenzoate
- Molecular weight
- 0
Names & synonyms
BRN 306896822954-19-4p-(Bis(2-bromoethyl)amino)phenol m-methoxybenzoatep-(Bis(2-bromoethyl)amino)phenyl m-methoxybenzoatePhenol, p-(bis(2-bromoethyl)amino)-, m-methoxybenzoateBenzoic acid, m-methoxy-, p-(bis(2-bromoethyl)amino)phenyl esterRefChem:3694174-[bis(2-bromoethyl)amino]phenyl 3-methoxybenzoateCHEMBL3246955DTXSID70945651p-[Bis(2-bromoethyl)amino]phenyl=m-methoxybenzoate
Database identifiers
- CAS
22954-19-4- PubChem CID
- 89937
- DTXSID
DTXSID70945651- ChEMBL
CHEMBL3246955- Nikkaji
- J50.097F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 369
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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