200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89060-89-9
89060-89-9 | Pyrido[3,2-g]quinoline, compd. with 2,4,6-trinitrophenol (1:2)
CAS No: 89060-89-9 Catalog No: AG004118 MDL No:
Product Description
Catalog Number:
AG004118
Chemical Name:
Pyrido[3,2-g]quinoline, compd. with 2,4,6-trinitrophenol (1:2)
CAS Number:
89060-89-9
Molecular Formula:
C24H14N8O14
Molecular Weight:
638.4132
IUPAC Name:
pyrido[3,2-g]quinoline;2,4,6-trinitrophenol
InChI:
InChI=1S/C12H8N2.2C6H3N3O7/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H;2*1-2,10H
InChI Key:
KSKRTWRDPIVJSO-UHFFFAOYSA-N
SMILES:
c1ccc2c(n1)cc1c(c2)cccn1.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
638.063g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
638.418g/mol
Monoisotopic Mass:
638.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
341A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.