200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88405-29-2
88405-29-2 | Benzonitrile, 4-[4,5-dihydro-1-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-yl]-
CAS No: 88405-29-2 Catalog No: AG004L81 MDL No:
Product Description
Catalog Number:
AG004L81
Chemical Name:
Benzonitrile, 4-[4,5-dihydro-1-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-yl]-
CAS Number:
88405-29-2
Molecular Formula:
C22H16N4O2
Molecular Weight:
368.3880
IUPAC Name:
4-[2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]benzonitrile
InChI:
InChI=1S/C22H16N4O2/c23-15-16-6-8-17(9-7-16)21-14-22(18-4-2-1-3-5-18)25(24-21)19-10-12-20(13-11-19)26(27)28/h1-13,22H,14H2
InChI Key:
YUZQHHJZBWWURN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.396g/mol
Monoisotopic Mass:
368.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.