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Home > Nitro Compounds > 6850-23-3
6850-23-3 | 1-Methyl-6-nitro-1H-indazole
CAS No: 6850-23-3 Catalog No: AG005PSJ MDL No:MFCD00456124
Product Description
Catalog Number:
AG005PSJ
Chemical Name:
1-Methyl-6-nitro-1H-indazole
CAS Number:
6850-23-3
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD00456124
IUPAC Name:
1-methyl-6-nitroindazole
InChI:
InChI=1S/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
InChI Key:
TUWHJYXETJCCPJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(cc1)cnn2C
NSC Number:
131654
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:
0
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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