200,000+ products from a single source!
sales@angenechem.com
1370616-08-2 | 2-Pyridineacetonitrile, 5-[(6-bromo-3-nitro-4-quinolinyl)amino]-α,α-dimethyl-
CAS No: 1370616-08-2 Catalog No: AG0012S1 MDL No:
Product Description
Catalog Number:
AG0012S1
Chemical Name:
2-Pyridineacetonitrile, 5-[(6-bromo-3-nitro-4-quinolinyl)amino]-α,α-dimethyl-
CAS Number:
1370616-08-2
Molecular Formula:
C18H14BrN5O2
Molecular Weight:
412.2401
IUPAC Name:
2-[5-[(6-bromo-3-nitroquinolin-4-yl)amino]pyridin-2-yl]-2-methylpropanenitrile
InChI:
InChI=1S/C18H14BrN5O2/c1-18(2,10-20)16-6-4-12(8-22-16)23-17-13-7-11(19)3-5-14(13)21-9-15(17)24(25)26/h3-9H,1-2H3,(H,21,23)
InChI Key:
IPXWGSQUQJHDEL-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cn1)Nc1c(cnc2c1cc(Br)cc2)[N+](=O)[O-])(C)C
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.033g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.247g/mol
Monoisotopic Mass:
411.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.