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Home > Nitro Compounds > 1000341-10-5
1000341-10-5 | 1H-Indazole-3-methanol, 6-nitro-
CAS No: 1000341-10-5 Catalog No: AG0000G3 MDL No:MFCD09880186
Product Description
Catalog Number:
AG0000G3
Chemical Name:
1H-Indazole-3-methanol, 6-nitro-
CAS Number:
1000341-10-5
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD09880186
IUPAC Name:
(6-nitro-2H-indazol-3-yl)methanol
InChI:
InChI=1S/C8H7N3O3/c12-4-8-6-2-1-5(11(13)14)3-7(6)9-10-8/h1-3,12H,4H2,(H,9,10)
InChI Key:
IBUYUAQQNOCNJJ-UHFFFAOYSA-N
SMILES:
OCc1n[nH]c2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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