Home Other Building Blocks 4-(difluoromethyl)cycloheptan-1-one

4-(difluoromethyl)cycloheptan-1-one

CAS No.:
1803598-75-5
Catalog Number:
AG01ACOV
Molecular Formula:
C8H12F2O
Molecular Weight:
162.1771
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Product Description
Catalog Number:
AG01ACOV
Chemical Name:
4-(difluoromethyl)cycloheptan-1-one
CAS Number:
1803598-75-5
Molecular Formula:
C8H12F2O
Molecular Weight:
162.1771
MDL Number:
MFCD28347998
IUPAC Name:
4-(difluoromethyl)cycloheptan-1-one
InChI:
InChI=1S/C8H12F2O/c9-8(10)6-2-1-3-7(11)5-4-6/h6,8H,1-5H2
InChI Key:
HOCQEHOIWWNIAJ-UHFFFAOYSA-N
SMILES:
O=C1CCCC(CC1)C(F)F
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.086g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.18g/mol
Monoisotopic Mass:
162.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties