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2- (4-Bromophenyl) oxirane

CAT: 0127-OR91414-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR91414-01Size:1 g
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CAS Number
32017-76-8
MDL Number
MFCD01656787
Purity
98%
Smiles
BrC1=CC=C(C2OC2)C=C1

Chemical Information

2-(4-Bromophenyl)oxirane
CAS Number32017-76-8
PubChem CID119460
IUPAC Name2-(4-bromophenyl)oxirane
Molecular FormulaC8H7BrO
Molecular Weight199.04
XLogP2.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
C1C(O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C8H7BrO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
InChIKey
NNINSLOEPXEZOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenyl)oxirane
CAS: 32017-76-8
CID: 119460
Formula: C8H7BrO
MW: 199.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.04
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass197.96803
Monoisotopic Mass197.96803
Topological Polar Surface Area12.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
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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Alternative Products

CatalogName
sc-2250662- (4-Bromophenyl) oxirane
DBA02244-012- (3-bromophenyl) oxirane
WCA63651-012- (2-Bromophenyl) oxirane
UGA27214-012- (4-Ethylphenyl) oxirane
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sc-2540542- (4-Chlorophenyl) oxirane
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