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Home > Nitro Compounds > 1306606-11-0
1306606-11-0 | 6,7-dimethoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CAS No: 1306606-11-0 Catalog No: AG01AI7S MDL No:MFCD18838915
Product Description
Catalog Number:
AG01AI7S
Chemical Name:
6,7-dimethoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1306606-11-0
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD18838915
IUPAC Name:
6,7-dimethoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H14N2O4/c1-16-9-5-7-6-12-4-3-8(7)10(13(14)15)11(9)17-2/h5,12H,3-4,6H2,1-2H3
InChI Key:
IRMDQYGUJAOOAJ-UHFFFAOYSA-N
SMILES:
COc1cc2CNCCc2c(c1OC)[N+](=O)[O-]
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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