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Home > Nitro Compounds > 132-42-3
132-42-3 | 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-
CAS No: 132-42-3 Catalog No: AG00101N MDL No:
Product Description
Catalog Number:
AG00101N
Chemical Name:
1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-
CAS Number:
132-42-3
Molecular Formula:
C10H8N4O5
Molecular Weight:
264.1943
IUPAC Name:
5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,11H,1H3
InChI Key:
JROWKMSMOKJXDW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(c(c1O)[N+](=O)[O-])C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.197g/mol
Monoisotopic Mass:
264.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| A non-potentiometric sensing method for the determination of pentoxyverine with PQC sensors based on ion-pair complexes. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20011201 |
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