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Home > Nitro Compounds > 854922-81-9
854922-81-9 | 2H-Indazole, 2-(3,3-dimethoxypropyl)-6-nitro-
CAS No: 854922-81-9 Catalog No: AG004N86 MDL No:
Product Description
Catalog Number:
AG004N86
Chemical Name:
2H-Indazole, 2-(3,3-dimethoxypropyl)-6-nitro-
CAS Number:
854922-81-9
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
IUPAC Name:
2-(3,3-dimethoxypropyl)-6-nitroindazole
InChI:
InChI=1S/C12H15N3O4/c1-18-12(19-2)5-6-14-8-9-3-4-10(15(16)17)7-11(9)13-14/h3-4,7-8,12H,5-6H2,1-2H3
InChI Key:
PFANWZHIHOEQDO-UHFFFAOYSA-N
SMILES:
COC(CCn1cc2c(n1)cc(cc2)[N+](=O)[O-])OC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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