200,000+ products from a single source!
sales@angenechem.com
15087-70-4 | Benzonitrile, 2-[2-[4-[[2-(benzoyloxy)ethyl](2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-
CAS No: 15087-70-4 Catalog No: AG001MXD MDL No:
Product Description
Catalog Number:
AG001MXD
Chemical Name:
Benzonitrile, 2-[2-[4-[[2-(benzoyloxy)ethyl](2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-
CAS Number:
15087-70-4
Molecular Formula:
C25H20N6O4
Molecular Weight:
468.4641
IUPAC Name:
2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl benzoate
InChI:
InChI=1S/C25H20N6O4/c26-13-4-14-30(15-16-35-25(32)19-5-2-1-3-6-19)22-9-7-21(8-10-22)28-29-24-12-11-23(31(33)34)17-20(24)18-27/h1-3,5-12,17H,4,14-16H2
InChI Key:
RMUVDBYECREIDO-UHFFFAOYSA-N
SMILES:
N#CCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCOC(=O)c1ccccc1
Properties
Complexity:
826
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.155g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.473g/mol
Monoisotopic Mass:
468.155g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.