200,000+ products from a single source!
sales@angenechem.com
89060-39-9 | 1H-1,2,4-Triazole-5-carboxaldehyde, 1-(4-methylphenyl)-3-phenyl-
CAS No: 89060-39-9 Catalog No: AG0087KN MDL No:
Product Description
Catalog Number:
AG0087KN
Chemical Name:
1H-1,2,4-Triazole-5-carboxaldehyde, 1-(4-methylphenyl)-3-phenyl-
CAS Number:
89060-39-9
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C16H13N3O/c1-12-7-9-14(10-8-12)19-15(11-20)17-16(18-19)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
LUALGODQCPHNMM-UHFFFAOYSA-N
SMILES:
O=Cc1nc(nn1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.