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Home > Nitro Compounds > 114474-26-9
114474-26-9 | 1H-Pyrazole, 4-(4-nitrophenyl)-
CAS No: 114474-26-9 Catalog No: AG000EHM MDL No:MFCD04037972
Product Description
Catalog Number:
AG000EHM
Chemical Name:
1H-Pyrazole, 4-(4-nitrophenyl)-
CAS Number:
114474-26-9
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD04037972
IUPAC Name:
4-(4-nitrophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H7N3O2/c13-12(14)9-3-1-7(2-4-9)8-5-10-11-6-8/h1-6H,(H,10,11)
InChI Key:
VTNBVJYDTGBDJO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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