Basic information
- CAS
22954-15-0- Standard SMILES
Cc1cccc(C(=O)Oc2ccc(N(CCBr)CCBr)cc2)c1- InChIKey
GWEJBHPUPOEHFW-UHFFFAOYSA-N- Molecular formula
- C18H19Br2NO2
- Average molar mass
- 441.2 g/mol
- Monoisotopic mass
- 438.97825
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-bromoethyl)amino)-, m-methylbenzoate
- IUPAC
- [4-[bis(2-bromoethyl)amino]phenyl] 3-methylbenzoate
- English name
- [4-(bis(2-bromoethyl)amino)phenyl] 3-methylbenzoate
- Molecular formula
- C18H19Br2NO2
- Molecular weight
- 0
Names & synonyms
BRN 306698822954-15-0p-(Bis(2-bromoethyl)amino)phenyl m-methylbenzoatePhenol, p-(bis(2-bromoethyl)amino)-, m-methylbenzoateBenzoic acid, m-methyl-, p-(bis(2-bromoethyl)amino)phenyl esterRefChem:369418[4-(bis(2-bromoethyl)amino)phenyl] 3-methylbenzoate[4-[bis(2-bromoethyl)amino]phenyl] 3-methylbenzoate4-[bis(2-bromoethyl)amino]phenyl 3-methylbenzoateCHEMBL3246936DTXSID80945647p-[Bis(2-bromoethyl)amino]phenyl=m-methylbenzoate
Show more names
3-Methylbenzoic acid 4-[bis(2-bromoethyl)amino]phenyl ester
Database identifiers
- CAS
22954-15-0- PubChem CID
- 89933
- DTXSID
DTXSID80945647- ChEMBL
CHEMBL3246936- Nikkaji
- J50.099B
Properties
Computed structural properties
- XLogP
- 5.3
- 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
- 353
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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