Basic information
- CAS
103638-41-1- Standard SMILES
O=C(O)CC(F)(F)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
BUEVKJMGAZEULE-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2F2NO2
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 339.0604405
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,3-Difluorochlorambucil
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]phenyl]-3,3-difluorobutanoic acid
- English name
- beta,beta-Difluorochlorambucil
- Molecular formula
- C14H17Cl2F2NO2
- Molecular weight
- 340.195
Names & synonyms
3,3-Difluorochlorambucilbeta,beta-Difluorochlorambucil103638-41-1DTXSID20145967CB-7103RefChem:90791DTXCID4068458CB7103BUEVKJMGAZEULE-UHFFFAOYSA-NCB 71034-(p-(Bis(2-chloroethyl)amino)phenyl)-3,3-difluorobutyric acid4-{4-[bis(2-chloroethyl)amino]phenyl}-3,3-difluorobutanoic acid
Show more names
Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-beta,beta-difluoro-BUTYRIC ACID, 4-(p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-3,3-DIFLUORO-
Database identifiers
- CAS
103638-41-1- PubChem CID
- 59773
- DTXSID
DTXSID20145967
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
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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