200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 24722-20-1
24722-20-1 | Benzonitrile, 3-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
CAS No: 24722-20-1 Catalog No: AG002P8D MDL No:
Product Description
Catalog Number:
AG002P8D
Chemical Name:
Benzonitrile, 3-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
CAS Number:
24722-20-1
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
IUPAC Name:
3-[4-(4-nitrophenyl)buta-1,3-dienyl]benzonitrile
InChI:
InChI=1S/C17H12N2O2/c18-13-16-7-3-6-15(12-16)5-2-1-4-14-8-10-17(11-9-14)19(20)21/h1-12H
InChI Key:
NPMVJOZBBLNXLA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C=CC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.295g/mol
Monoisotopic Mass:
276.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.