200,000+ products from a single source!
sales@angenechem.com
83503-28-0 | 4H-1,2,4-Triazole-3-carboxaldehyde, 5-methyl-4-phenyl-
CAS No: 83503-28-0 Catalog No: AG004V2L MDL No:
Product Description
Catalog Number:
AG004V2L
Chemical Name:
4H-1,2,4-Triazole-3-carboxaldehyde, 5-methyl-4-phenyl-
CAS Number:
83503-28-0
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
5-methyl-4-phenyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c1-8-11-12-10(7-14)13(8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
HQIAGNLDQFICRY-UHFFFAOYSA-N
SMILES:
O=Cc1nnc(n1c1ccccc1)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.