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Home > Nitro Compounds > 1479085-67-0
1479085-67-0 | 1H-Pyrazole-3-methanol, 4-nitro-
CAS No: 1479085-67-0 Catalog No: AG001F9Q MDL No:
Product Description
Catalog Number:
AG001F9Q
Chemical Name:
1H-Pyrazole-3-methanol, 4-nitro-
CAS Number:
1479085-67-0
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
IUPAC Name:
(4-nitro-1H-pyrazol-5-yl)methanol
InChI:
InChI=1S/C4H5N3O3/c8-2-3-4(7(9)10)1-5-6-3/h1,8H,2H2,(H,5,6)
InChI Key:
VIOZIAVBQKXPSE-UHFFFAOYSA-N
SMILES:
OCc1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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