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3110-42-7 | 4(3H)-Pyrimidinone, 6-(fluoromethyl)-2-methyl-
CAS No: 3110-42-7 Catalog No: AG00324L MDL No:MFCD24394241
Product Description
Catalog Number:
AG00324L
Chemical Name:
4(3H)-Pyrimidinone, 6-(fluoromethyl)-2-methyl-
CAS Number:
3110-42-7
Molecular Formula:
C6H7FN2O
Molecular Weight:
142.1310
MDL Number:
MFCD24394241
IUPAC Name:
4-(fluoromethyl)-2-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7FN2O/c1-4-8-5(3-7)2-6(10)9-4/h2H,3H2,1H3,(H,8,9,10)
InChI Key:
BFOODGFSIMOOBW-UHFFFAOYSA-N
SMILES:
Cc1nc(CF)cc(=O)[nH]1
NSC Number:
33045
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.133g/mol
Monoisotopic Mass:
142.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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