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Home > Nitro Compounds > 101420-67-1
101420-67-1 | 1H-Indazole, 4-methyl-5-nitro-
CAS No: 101420-67-1 Catalog No: AG0004H3 MDL No:MFCD03787902
Product Description
Catalog Number:
AG0004H3
Chemical Name:
1H-Indazole, 4-methyl-5-nitro-
CAS Number:
101420-67-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD03787902
IUPAC Name:
4-methyl-5-nitro-1H-indazole
InChI:
InChI=1S/C8H7N3O2/c1-5-6-4-9-10-7(6)2-3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChI Key:
AIFYSIHSUXTSGT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1C)cn[nH]2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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