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13271-49-3 | 2-Cyclohexen-1-one, 3-bromo-5,5-dimethyl-
CAS No: 13271-49-3 Catalog No: AG001113 MDL No:
Product Description
Catalog Number:
AG001113
Chemical Name:
2-Cyclohexen-1-one, 3-bromo-5,5-dimethyl-
CAS Number:
13271-49-3
Molecular Formula:
C8H11BrO
Molecular Weight:
203.0763
IUPAC Name:
3-bromo-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C8H11BrO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChI Key:
LPZGJNIBSGPOED-UHFFFAOYSA-N
SMILES:
BrC1=CC(=O)CC(C1)(C)C
UNII:
8GST9D0140
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.079g/mol
Monoisotopic Mass:
201.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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