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Home > Nitro Compounds > 16251-41-5
16251-41-5 | Isoquinoline, 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3,4-dihydro-6,7-dimethoxy-
CAS No: 16251-41-5 Catalog No: AG001T7H MDL No:
Product Description
Catalog Number:
AG001T7H
Chemical Name:
Isoquinoline, 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3,4-dihydro-6,7-dimethoxy-
CAS Number:
16251-41-5
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
IUPAC Name:
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
InChI:
InChI=1S/C20H22N2O6/c1-25-17-8-12-5-6-21-15(14(12)10-19(17)27-3)7-13-9-18(26-2)20(28-4)11-16(13)22(23)24/h8-11H,5-7H2,1-4H3
InChI Key:
SXTYDIOXCPSMPL-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN=C2Cc1cc(OC)c(cc1[N+](=O)[O-])OC
NSC Number:
114928
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.404g/mol
Monoisotopic Mass:
386.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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