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Home > Nitro Compounds > 88369-84-0
88369-84-0 | 1H-Indazole, 6-nitro-1-(phenylmethyl)-
CAS No: 88369-84-0 Catalog No: AG004G12 MDL No:
Product Description
Catalog Number:
AG004G12
Chemical Name:
1H-Indazole, 6-nitro-1-(phenylmethyl)-
CAS Number:
88369-84-0
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
1-benzyl-6-nitroindazole
InChI:
InChI=1S/C14H11N3O2/c18-17(19)13-7-6-12-9-15-16(14(12)8-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
GYDOXOPZGJQRID-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(nc2)Cc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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