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5-Bromo-2-methoxystyrene

CAT: 0127-OR400113Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR400113Size:1 Each
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CAS Number
16602-24-7
MDL Number
MFCD04038503
Purity
=95%
Smiles
COc1ccc(Br)cc1C=C

Chemical Information

4-Bromo-2-ethenyl-1-methoxybenzene
CAS Number16602-24-7
PubChem CID1514184
IUPAC Name4-bromo-2-ethenyl-1-methoxybenzene
Molecular FormulaC9H9BrO
Molecular Weight213.07
XLogP3.4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
COC1=C(C=C(C=C1)Br)C=C
InChI
InChI=1S/C9H9BrO/c1-3-7-6-8(10)4-5-9(7)11-2/h3-6H,1H2,2H3
InChIKey
AYMIVXWZAMXEEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-ethenyl-1-methoxybenzene
CAS: 16602-24-7
CID: 1514184
Formula: C9H9BrO
MW: 213.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight213.07
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass211.98368
Monoisotopic Mass211.98368
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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