200,000+ products from a single source!
sales@angenechem.com
13306-99-5 | 2H-1,2,3-Triazole-4-carboxylic acid, 2-phenyl-
CAS No: 13306-99-5 Catalog No: AG001465 MDL No:MFCD01104530
Product Description
Catalog Number:
AG001465
Chemical Name:
2H-1,2,3-Triazole-4-carboxylic acid, 2-phenyl-
CAS Number:
13306-99-5
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD01104530
IUPAC Name:
2-phenyltriazole-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H,(H,13,14)
InChI Key:
MXZFAZWAEXCZTR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(n1)c1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). | Bioorganic & medicinal chemistry letters 20120915 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.