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Home > Nitro Compounds > 1269292-18-3
1269292-18-3 | 1H-Pyrazole, 1-(2-nitrophenyl)-5-phenyl-
CAS No: 1269292-18-3 Catalog No: AG000TJQ MDL No:MFCD20275397
Product Description
Catalog Number:
AG000TJQ
Chemical Name:
1H-Pyrazole, 1-(2-nitrophenyl)-5-phenyl-
CAS Number:
1269292-18-3
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
MDL Number:
MFCD20275397
IUPAC Name:
1-(2-nitrophenyl)-5-phenylpyrazole
InChI:
InChI=1S/C15H11N3O2/c19-18(20)15-9-5-4-8-14(15)17-13(10-11-16-17)12-6-2-1-3-7-12/h1-11H
InChI Key:
PKXNSITUBXLXMS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1n1nccc1c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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