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Home > Nitro Compounds > 188121-31-5
188121-31-5 | Isoquinoline, 6-methyl-5-nitro-
CAS No: 188121-31-5 Catalog No: AG002GPY MDL No:MFCD11848649
Product Description
Catalog Number:
AG002GPY
Chemical Name:
Isoquinoline, 6-methyl-5-nitro-
CAS Number:
188121-31-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD11848649
IUPAC Name:
6-methyl-5-nitroisoquinoline
InChI:
InChI=1S/C10H8N2O2/c1-7-2-3-8-6-11-5-4-9(8)10(7)12(13)14/h2-6H,1H3
InChI Key:
YYPKZGWCMPOFRV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccc2c1ccnc2
EC Number:
606-128-9
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:
2.3
Literature
| Title | Journal |
|---|---|
| Selective ortho methylation of nitroheteroaryls by vicarious nucleophilic substitution. | The Journal of organic chemistry 20080905 |
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