Molecular Identity
Propanoyl chloride, 3-bromo-
3-bromopropanoyl chloride
PubChem CID: 84944
2D Structure
Properties
C3H4BrClO
Molecular Formula
171.42
Molecular Weight
g/mol
169.9134
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
17.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
54
Complexity
SMILES
Canonical SMILES
SMILES: C(CBr)C(=O)ClIsomeric SMILES
SMILES: C(CBr)C(=O)ClSynonyms(20)
3-Bromopropionyl chloride15486-96-13-Bromopropanoyl chloridePropanoyl chloride, 3-bromo-EINECS 239-515-2DTXSID3065900RefChem:869598DTXCID0034988239-515-2MFCD000007463-bromopropionic acid chloride3-Bromopropanoyl Chloride; 3-Bromopropanoic Acid Chloride; beta-Bromopropanoyl Chloride; ?-Bromopropanoyl Chloride; beta-Bromopropionyl Chloride3-bromoproionylchloride3-bromopropanoylchloride3-Bromopropionylchloride
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Propanoyl chloride, 3-bromo-
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