Basic information
- CAS
22954-14-9- Standard SMILES
CC(C)c1ccccc1C(=O)Oc1ccc(N(CCBr)CCBr)cc1- InChIKey
PRMOCPYCVSHNMG-UHFFFAOYSA-N- Molecular formula
- C20H23Br2NO2
- Average molar mass
- 469.2 g/mol
- Monoisotopic mass
- 467.00955
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate
- IUPAC
- [4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate
- English name
- [4-(bis(2-bromoethyl)amino)phenyl] 2-propan-2-ylbenzoate
- Molecular formula
- C20H23Br2NO2
- Molecular weight
- 0
Names & synonyms
22954-14-9BRN 3067151p-(Bis(2-bromoethyl)amino)phenyl o-isopropylbenzoatep-(Bis(2-bromoethyl)amino)phenol o-isopropylbenzoatePhenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoateBenzoic acid, o-isopropyl-, p-(bis(2-bromoethyl)amino)phenyl esterRefChem:369421[4-(bis(2-bromoethyl)amino)phenyl] 2-propan-2-ylbenzoate[4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate4-[bis(2-bromoethyl)amino]phenyl 2-(propan-2-yl)benzoateCHEMBL3246935DTXSID20945646
Show more names
p-[Bis(2-bromoethyl)amino]phenyl=o-isopropylbenzoate
Database identifiers
- CAS
22954-14-9- PubChem CID
- 89932
- DTXSID
DTXSID20945646
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 391
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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