200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 111340-51-3
111340-51-3 | 1H-1,2,4-Triazole-5-carboxaldehyde, 1-phenyl-
CAS No: 111340-51-3 Catalog No: AG007T5O MDL No:
Product Description
Catalog Number:
AG007T5O
Chemical Name:
1H-1,2,4-Triazole-5-carboxaldehyde, 1-phenyl-
CAS Number:
111340-51-3
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
IUPAC Name:
2-phenyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C9H7N3O/c13-6-9-10-7-11-12(9)8-4-2-1-3-5-8/h1-7H
InChI Key:
DNWKXRQFTTWFKW-UHFFFAOYSA-N
SMILES:
O=Cc1ncnn1c1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.