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1269291-24-8 | Pyrimidine, 2-[1-(4-chlorophenyl)-1H-pyrazol-5-yl]-
CAS No: 1269291-24-8 Catalog No: AG000TI6 MDL No:MFCD20275458
Product Description
Catalog Number:
AG000TI6
Chemical Name:
Pyrimidine, 2-[1-(4-chlorophenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269291-24-8
Molecular Formula:
C13H9ClN4
Molecular Weight:
256.6904
MDL Number:
MFCD20275458
IUPAC Name:
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyrimidine
InChI:
InChI=1S/C13H9ClN4/c14-10-2-4-11(5-3-10)18-12(6-9-17-18)13-15-7-1-8-16-13/h1-9H
InChI Key:
WBPFPYKSDKTVAJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nccc1c1ncccn1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.693g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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