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22515-18-0 | 4,4-Difluorocyclohexanone
CAS No: 22515-18-0 Catalog No: AG0033UU MDL No:MFCD08146635
Product Description
Catalog Number:
AG0033UU
Chemical Name:
4,4-Difluorocyclohexanone
CAS Number:
22515-18-0
Molecular Formula:
C6H8F2O
Molecular Weight:
134.1239
MDL Number:
MFCD08146635
IUPAC Name:
4,4-difluorocyclohexan-1-one
InChI:
InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
InChI Key:
NYYSPVRERVXMLJ-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(F)F
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.126g/mol
Monoisotopic Mass:
134.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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