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Home > Nitro Compounds > 189220-73-3
189220-73-3 | 1H-Pyrazol-5-ol, 1-(2,4-dinitrophenyl)-4,5-dihydro-
CAS No: 189220-73-3 Catalog No: AG002I2U MDL No:
Product Description
Catalog Number:
AG002I2U
Chemical Name:
1H-Pyrazol-5-ol, 1-(2,4-dinitrophenyl)-4,5-dihydro-
CAS Number:
189220-73-3
Molecular Formula:
C9H8N4O5
Molecular Weight:
252.1836
IUPAC Name:
2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-3-ol
InChI:
InChI=1S/C9H8N4O5/c14-9-3-4-10-11(9)7-2-1-6(12(15)16)5-8(7)13(17)18/h1-2,4-5,9,14H,3H2
InChI Key:
GVXNELVNZWBTTL-UHFFFAOYSA-N
SMILES:
OC1CC=NN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.186g/mol
Monoisotopic Mass:
252.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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