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Home > Nitro Compounds > 10268-35-6
10268-35-6 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(4-nitrophenyl)-
CAS No: 10268-35-6 Catalog No: AG00083M MDL No:MFCD00111053
Product Description
Catalog Number:
AG00083M
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(4-nitrophenyl)-
CAS Number:
10268-35-6
Molecular Formula:
C17H16N2O4
Molecular Weight:
312.3199
MDL Number:
MFCD00111053
IUPAC Name:
6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydroisoquinoline
InChI:
InChI=1S/C17H16N2O4/c1-22-15-9-12-7-8-18-17(14(12)10-16(15)23-2)11-3-5-13(6-4-11)19(20)21/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
CQIOJOVNMUOUTO-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN=C2c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.325g/mol
Monoisotopic Mass:
312.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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