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1269292-37-6 | Pyrimidine, 2-[1-(4-methylphenyl)-1H-pyrazol-5-yl]-
CAS No: 1269292-37-6 Catalog No: AG000TJI MDL No:MFCD20275459
Product Description
Catalog Number:
AG000TJI
Chemical Name:
Pyrimidine, 2-[1-(4-methylphenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269292-37-6
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
MDL Number:
MFCD20275459
IUPAC Name:
2-[2-(4-methylphenyl)pyrazol-3-yl]pyrimidine
InChI:
InChI=1S/C14H12N4/c1-11-3-5-12(6-4-11)18-13(7-10-17-18)14-15-8-2-9-16-14/h2-10H,1H3
InChI Key:
ZRJFPIVGFBQQTL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nccc1c1ncccn1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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