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1269291-79-3 | Pyrimidine, 2-(1-phenyl-1H-pyrazol-5-yl)-
CAS No: 1269291-79-3 Catalog No: AG000TIZ MDL No:MFCD20275450
Product Description
Catalog Number:
AG000TIZ
Chemical Name:
Pyrimidine, 2-(1-phenyl-1H-pyrazol-5-yl)-
CAS Number:
1269291-79-3
Molecular Formula:
C13H10N4
Molecular Weight:
222.2453
MDL Number:
MFCD20275450
IUPAC Name:
2-(2-phenylpyrazol-3-yl)pyrimidine
InChI:
InChI=1S/C13H10N4/c1-2-5-11(6-3-1)17-12(7-10-16-17)13-14-8-4-9-15-13/h1-10H
InChI Key:
SGTORNCEQRJMOK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1nccc1c1ncccn1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.251g/mol
Monoisotopic Mass:
222.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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