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100517-70-2 | 5-Pyrimidinecarboxylic acid, 4-methyl-2-phenyl-, hydrazide
CAS No: 100517-70-2 Catalog No: AG00028D MDL No:MFCD03086119
Product Description
Catalog Number:
AG00028D
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-methyl-2-phenyl-, hydrazide
CAS Number:
100517-70-2
Molecular Formula:
C12H12N4O
Molecular Weight:
228.2499
MDL Number:
MFCD03086119
IUPAC Name:
4-methyl-2-phenylpyrimidine-5-carbohydrazide
InChI:
InChI=1S/C12H12N4O/c1-8-10(12(17)16-13)7-14-11(15-8)9-5-3-2-4-6-9/h2-7H,13H2,1H3,(H,16,17)
InChI Key:
YMKFWAHMWXBBLI-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cnc(nc1C)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.255g/mol
Monoisotopic Mass:
228.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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