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Home > Nitro Compounds > 114474-27-0
114474-27-0 | 1H-Pyrazole, 4-(4-nitrophenyl)-1-phenyl-
CAS No: 114474-27-0 Catalog No: AG000EHL MDL No:
Product Description
Catalog Number:
AG000EHL
Chemical Name:
1H-Pyrazole, 4-(4-nitrophenyl)-1-phenyl-
CAS Number:
114474-27-0
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
IUPAC Name:
4-(4-nitrophenyl)-1-phenylpyrazole
InChI:
InChI=1S/C15H11N3O2/c19-18(20)15-8-6-12(7-9-15)13-10-16-17(11-13)14-4-2-1-3-5-14/h1-11H
InChI Key:
UPVDNBDVXNPWKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cnn(c1)c1ccccc1
Properties
Complexity:
331
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:
3.3
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