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Home > Nitro Compounds > 116529-86-3
116529-86-3 | Quinoline, 8-methyl-6-nitro-
CAS No: 116529-86-3 Catalog No: AG000CPE MDL No:
Product Description
Catalog Number:
AG000CPE
Chemical Name:
Quinoline, 8-methyl-6-nitro-
CAS Number:
116529-86-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
8-methyl-6-nitroquinoline
InChI:
InChI=1S/C10H8N2O2/c1-7-5-9(12(13)14)6-8-3-2-4-11-10(7)8/h2-6H,1H3
InChI Key:
YWPCEVGGEXXTQG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c2c(c1)cccn2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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