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2-Bromopropionyl Chloride

CAT: 0572-TRC-B687850-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B687850-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7148-74-5
Synonyms
(±)-2-Bromopropionyl Chloride; 2-Bromopropanoyl Chloride; 2-Bromopropionic Acid Chloride; 2-Bromopropionyl Chloride; NSC 64455; α-Bromopropanoyl Chloride; α-Bromopropionic Acid Chloride; α-Bromopropionyl Chloride
Hazard Statement
Flammable liquid and vapour; UN number: UN2920; Packing Group: II
Smiles
O=C(Cl)C(Br)C
Molecular Formula
C3H4BrClO
Molecular Weight
171.42
InChI
InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
Additionnal Information
IUPAC name: 2-bromopropanoyl chloride
Shipping Conditions
Room Temperature

Chemical Information

2-Bromopropanoyl chloride
CAS Number7148-74-5
PubChem CID97980
IUPAC Name2-bromopropanoyl chloride
Molecular FormulaC3H4BrClO
Molecular Weight171.42
XLogP2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity63
SMILES
CC(C(=O)Cl)Br
InChI
InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
InChIKey
OZGMODDEIHYPRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromopropanoyl chloride
CAS: 7148-74-5
CID: 97980
Formula: C3H4BrClO
MW: 171.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.42
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass169.91341
Monoisotopic Mass169.91341
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity63.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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