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137994-00-4 | Ethanone, 2-bromo-1-(1-cyclohexen-1-yl)-
CAS No: 137994-00-4 Catalog No: AG0017SG MDL No:
Product Description
Catalog Number:
AG0017SG
Chemical Name:
Ethanone, 2-bromo-1-(1-cyclohexen-1-yl)-
CAS Number:
137994-00-4
Molecular Formula:
C8H11BrO
Molecular Weight:
203.0763
IUPAC Name:
2-bromo-1-(cyclohexen-1-yl)ethanone
InChI:
InChI=1S/C8H11BrO/c9-6-8(10)7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChI Key:
DYUQCJWVPXYECE-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1=CCCCC1
Properties
Complexity:
161
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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