Home Other Building Blocks 1-[6-(difluoromethyl)pyridin-3-yl]ethan-1-one

1-[6-(difluoromethyl)pyridin-3-yl]ethan-1-one

CAS No.:
1256821-01-8
Catalog Number:
AG01B76W
Molecular Formula:
C8H7F2NO
Molecular Weight:
171.1441
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Product Description
Catalog Number:
AG01B76W
Chemical Name:
1-[6-(difluoromethyl)pyridin-3-yl]ethan-1-one
CAS Number:
1256821-01-8
Molecular Formula:
C8H7F2NO
Molecular Weight:
171.1441
MDL Number:
MFCD18256461
IUPAC Name:
1-[6-(difluoromethyl)pyridin-3-yl]ethanone
InChI:
InChI=1S/C8H7F2NO/c1-5(12)6-2-3-7(8(9)10)11-4-6/h2-4,8H,1H3
InChI Key:
FENQJFWRNGFVHD-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cn1)C(=O)C)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:
171.05g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.147g/mol
Monoisotopic Mass:
171.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties