200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89546-95-2
89546-95-2 | Benzo[c]cinnoline, 1,2,3,4,4a,5,7,8,9,10-decahydro-5-(4-nitrophenyl)-
CAS No: 89546-95-2 Catalog No: AG0040GP MDL No:
Product Description
Catalog Number:
AG0040GP
Chemical Name:
Benzo[c]cinnoline, 1,2,3,4,4a,5,7,8,9,10-decahydro-5-(4-nitrophenyl)-
CAS Number:
89546-95-2
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
IUPAC Name:
6-(4-nitrophenyl)-2,3,4,6a,7,8,9,10-octahydro-1H-benzo[c]cinnoline
InChI:
InChI=1S/C18H21N3O2/c22-21(23)14-11-9-13(10-12-14)20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19-20/h9-12,18H,1-8H2
InChI Key:
YVXNGLXLSNENMR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1N=C2CCCCC2=C2C1CCCC2
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.385g/mol
Monoisotopic Mass:
311.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.