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P-Chloro-alpha-methylstyrene

CAT: 0127-OR315710-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR315710-01Size:5 g
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CAS Number
1712-70-5
MDL Number
MFCD00000630
Purity
98%
Smiles
CC(=C)c1ccc(Cl)cc1

Chemical Information

4-Chloro-alpha-methylstyrene
CAS Number1712-70-5
PubChem CID74381
IUPAC Name1-chloro-4-prop-1-en-2-ylbenzene
Molecular FormulaC9H9Cl
Molecular Weight152.62
XLogP4.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity121
SMILES
CC(=C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
InChIKey
WQDGTJOEMPEHHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-alpha-methylstyrene
CAS: 1712-70-5
CID: 74381
Formula: C9H9Cl
MW: 152.62
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.62
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass152.0392780
Monoisotopic Mass152.0392780
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity121
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