Home Other Building Blocks 1-(2-DIFLUOROMETHYL-PHENYL)-ETHANONE

1-(2-DIFLUOROMETHYL-PHENYL)-ETHANONE

CAS No.:
1417510-96-3
Catalog Number:
AG01DYQK
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
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Product Description
Catalog Number:
AG01DYQK
Chemical Name:
1-(2-DIFLUOROMETHYL-PHENYL)-ETHANONE
CAS Number:
1417510-96-3
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD22685892
IUPAC Name:
1-[2-(difluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H8F2O/c1-6(12)7-4-2-3-5-8(7)9(10)11/h2-5,9H,1H3
InChI Key:
INIFPGCZERKNSV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1C(F)F
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.159g/mol
Monoisotopic Mass:
170.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties