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99984-58-4 | Pyrimidine, 4-(4-methylphenyl)-
CAS No: 99984-58-4 Catalog No: AG003VTP MDL No:MFCD02670072
Product Description
Catalog Number:
AG003VTP
Chemical Name:
Pyrimidine, 4-(4-methylphenyl)-
CAS Number:
99984-58-4
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD02670072
IUPAC Name:
4-(4-methylphenyl)pyrimidine
InChI:
InChI=1S/C11H10N2/c1-9-2-4-10(5-3-9)11-6-7-12-8-13-11/h2-8H,1H3
InChI Key:
ANPZNGHHASMJLS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccncn1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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