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Home > Nitro Compounds > 73225-12-4
73225-12-4 | 1H-Pyrazole, 3-methyl-1-(4-nitrophenyl)-5-phenyl-
CAS No: 73225-12-4 Catalog No: AG005FJK MDL No:
Product Description
Catalog Number:
AG005FJK
Chemical Name:
1H-Pyrazole, 3-methyl-1-(4-nitrophenyl)-5-phenyl-
CAS Number:
73225-12-4
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole
InChI:
InChI=1S/C16H13N3O2/c1-12-11-16(13-5-3-2-4-6-13)18(17-12)14-7-9-15(10-8-14)19(20)21/h2-11H,1H3
InChI Key:
TZTHNAWXKYFCME-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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