Basic information
- CAS
22954-16-1- Standard SMILES
Cc1ccc(C(=O)Oc2ccc(N(CCBr)CCBr)cc2)cc1- InChIKey
HETTWOPRDUZXMX-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)-, p-methylbenzoate
- IUPAC
- [4-[bis(2-bromoethyl)amino]phenyl] 4-methylbenzoate
- English name
- [4-(bis(2-bromoethyl)amino)phenyl] 4-methylbenzoate
- Molecular formula
- C18H19Br2NO2
- Molecular weight
- 441.16
Names & synonyms
22954-16-1BRN 3066989p-(Bis(2-bromoethyl)amino)phenyl p-methylbenzoatep-(Bis(2-bromoethyl)amino)phenol p-methylbenzoatePhenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoateBenzoic acid, p-methyl-, p-(bis(2-bromoethyl)amino)phenyl esterRefChem:369426[4-(bis(2-bromoethyl)amino)phenyl] 4-methylbenzoate[4-[bis(2-bromoethyl)amino]phenyl] 4-methylbenzoate4-[bis(2-bromoethyl)amino]phenyl 4-methylbenzoateCHEMBL3246937DTXSID40945648
Show more names
p-[Bis(2-bromoethyl)amino]phenyl=p-methylbenzoateBenzoic acid, 4-methyl-, 4-[bis(2-bromoethyl)amino]phenyl ester
Database identifiers
- CAS
22954-16-1- PubChem CID
- 89934
- DTXSID
DTXSID40945648- ChEMBL
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
- 345
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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