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Home > Nitro Compounds > 18004-97-2
18004-97-2 | Quinoline, 5,8-dimethoxy-2-methyl-6-nitro-
CAS No: 18004-97-2 Catalog No: AG0021NE MDL No:
Product Description
Catalog Number:
AG0021NE
Chemical Name:
Quinoline, 5,8-dimethoxy-2-methyl-6-nitro-
CAS Number:
18004-97-2
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
5,8-dimethoxy-2-methyl-6-nitroquinoline
InChI:
InChI=1S/C12H12N2O4/c1-7-4-5-8-11(13-7)10(17-2)6-9(14(15)16)12(8)18-3/h4-6H,1-3H3
InChI Key:
WDBABTMHIFRSGG-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c2c1nc(C)cc2)OC
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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