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1-bromopropan-2-one

CAT: 1299-RG-E242667-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E242667-01Size:10 mg
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CAS Number
598-31-2
Synonyms
1-bromopropan-2-one
Molecular Formula
C3H5BrO
Molecular Weight
136.98

Chemical Information

Bromoacetone

Bromoacetone is an alpha-bromoketone that is acetone in which one of the hydrogens is replaced by a bromine atom. A poweful lachrymator, it was formerly used as a chemical weapon. It has a role as a lachrymator. It is functionally related to an acetone.

CAS Number598-31-2
PubChem CID11715
IUPAC Name1-bromopropan-2-one
Molecular FormulaC3H5BrO
Molecular Weight136.98
XLogP0.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity42
SMILES
CC(=O)CBr
InChI
InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
InChIKey
VQFAIAKCILWQPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetone
CAS: 598-31-2
CID: 11715
Formula: C3H5BrO
MW: 136.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.98
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass135.95238
Monoisotopic Mass135.95238
Topological Polar Surface Area17.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity42.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-Z0840R-011- (4- (Benzyloxy) phenyl) -2-bromopropan-1-one (Standard)
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