200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 25944-25-6
25944-25-6 | Isoquinoline, 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-
CAS No: 25944-25-6 Catalog No: AG002R56 MDL No:
Product Description
Catalog Number:
AG002R56
Chemical Name:
Isoquinoline, 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-
CAS Number:
25944-25-6
Molecular Formula:
C20H20N2O6
Molecular Weight:
384.3826
IUPAC Name:
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxyisoquinoline
InChI:
InChI=1S/C20H20N2O6/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/h5-6,8-11H,7H2,1-4H3
InChI Key:
LDDJQOUHXBDHKJ-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC
NSC Number:
146065
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.132g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.388g/mol
Monoisotopic Mass:
384.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.