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Home > Nitro Compounds > 87664-95-7
87664-95-7 | Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-2,3-dimethyl-8-nitro-
CAS No: 87664-95-7 Catalog No: AG004H6R MDL No:
Product Description
Catalog Number:
AG004H6R
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-2,3-dimethyl-8-nitro-
CAS Number:
87664-95-7
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
IUPAC Name:
5,6-dimethoxy-2,3-dimethyl-8-nitro-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H18N2O4/c1-8-5-9-10(7-14(8)2)11(15(16)17)6-12(18-3)13(9)19-4/h6,8H,5,7H2,1-4H3
InChI Key:
NDJMYIQRVFLPNI-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1CC(C)N(C2)C)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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