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1370601-11-8 | Ethanone, 2-bromo-1-(4,4-difluorocyclohexyl)-
CAS No: 1370601-11-8 Catalog No: AG0012S2 MDL No:MFCD24266743
Product Description
Catalog Number:
AG0012S2
Chemical Name:
Ethanone, 2-bromo-1-(4,4-difluorocyclohexyl)-
CAS Number:
1370601-11-8
Molecular Formula:
C8H11BrF2O
Molecular Weight:
241.0731
MDL Number:
MFCD24266743
IUPAC Name:
2-bromo-1-(4,4-difluorocyclohexyl)ethanone
InChI:
InChI=1S/C8H11BrF2O/c9-5-7(12)6-1-3-8(10,11)4-2-6/h6H,1-5H2
InChI Key:
KEDIVRGYXYQZEK-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1CCC(CC1)(F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.076g/mol
Monoisotopic Mass:
239.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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