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Home > Nitro Compounds > 72521-00-7
72521-00-7 | 6-NITRO-5-METHYL (1H)INDAZOLE
CAS No: 72521-00-7 Catalog No: AG00FBFE MDL No:MFCD09026996
Product Description
Catalog Number:
AG00FBFE
Chemical Name:
6-NITRO-5-METHYL (1H)INDAZOLE
CAS Number:
72521-00-7
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD09026996
IUPAC Name:
5-methyl-6-nitro-1H-indazole
InChI:
InChI=1S/C8H7N3O2/c1-5-2-6-4-9-10-7(6)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChI Key:
AZWAXIMNWVYSMP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2[nH]ncc2cc1C
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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