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2- (4-Bromophenyl) -2-methyloxetane

CAT: 0926-CUB37656-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-CUB37656-01Size:50 mg
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CAS Number
1102376-56-6
MDL Number
MFCD29048654
Smiles
CC1 (CCO1) C2=CC=C (C=C2) Br
Molecular Formula
C10H11BrO
Molecular Weight
227.1 g/mol
Controlled
No

Chemical Information

2-(4-Bromophenyl)-2-methyloxetane
CAS Number1102376-56-6
PubChem CID84134869
IUPAC Name2-(4-bromophenyl)-2-methyloxetane
Molecular FormulaC10H11BrO
Molecular Weight227.10
XLogP2.6
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
CC1(CCO1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrO/c1-10(6-7-12-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
HHGDAOQADCPNMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenyl)-2-methyloxetane
CAS: 1102376-56-6
CID: 84134869
Formula: C10H11BrO
MW: 227.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight227.10
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass225.99933
Monoisotopic Mass225.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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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