200,000+ products from a single source!
sales@angenechem.com
89060-41-3 | 1H-1,2,4-Triazole-5-carboxaldehyde, 1-(4-nitrophenyl)-3-phenyl-
CAS No: 89060-41-3 Catalog No: AG0087KM MDL No:
Product Description
Catalog Number:
AG0087KM
Chemical Name:
1H-1,2,4-Triazole-5-carboxaldehyde, 1-(4-nitrophenyl)-3-phenyl-
CAS Number:
89060-41-3
Molecular Formula:
C15H10N4O3
Molecular Weight:
294.2649
IUPAC Name:
2-(4-nitrophenyl)-5-phenyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C15H10N4O3/c20-10-14-16-15(11-4-2-1-3-5-11)17-18(14)12-6-8-13(9-7-12)19(21)22/h1-10H
InChI Key:
ZHDJIWWCOXVCRF-UHFFFAOYSA-N
SMILES:
O=Cc1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.27g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.