200,000+ products from a single source!
sales@angenechem.com
1025-88-3 | 1H-1,2,4-Triazole-3-carboxylic acid, 5-methyl-1-(4-nitrophenyl)-
CAS No: 1025-88-3 Catalog No: AG0007LO MDL No:MFCD00173063
Product Description
Catalog Number:
AG0007LO
Chemical Name:
1H-1,2,4-Triazole-3-carboxylic acid, 5-methyl-1-(4-nitrophenyl)-
CAS Number:
1025-88-3
Molecular Formula:
C10H8N4O4
Molecular Weight:
248.1949
MDL Number:
MFCD00173063
IUPAC Name:
5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C10H8N4O4/c1-6-11-9(10(15)16)12-13(6)7-2-4-8(5-3-7)14(17)18/h2-5H,1H3,(H,15,16)
InChI Key:
AGPQLGNAAHYBPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(nc1C)C(=O)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.198g/mol
Monoisotopic Mass:
248.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.