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Home > Fluorides > 1713477-40-7
1713477-40-7 | 6-(difluoromethyl)-2-methylpyrimidin-4-ol
CAS No: 1713477-40-7 Catalog No: AG01FM5C MDL No:MFCD27940575
Product Description
Catalog Number:
AG01FM5C
Chemical Name:
6-(difluoromethyl)-2-methylpyrimidin-4-ol
CAS Number:
1713477-40-7
Molecular Formula:
C6H6F2N2O
Molecular Weight:
160.1214
MDL Number:
MFCD27940575
IUPAC Name:
4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H6F2N2O/c1-3-9-4(6(7)8)2-5(11)10-3/h2,6H,1H3,(H,9,10,11)
InChI Key:
XCSXNMDGSUKSGR-UHFFFAOYSA-N
SMILES:
Oc1cc(nc(n1)C)C(F)F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.124g/mol
Monoisotopic Mass:
160.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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