200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1245648-20-7
1245648-20-7 | 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2-fluorophenyl)-
CAS No: 1245648-20-7 Catalog No: AG000MBG MDL No:
Product Description
Catalog Number:
AG000MBG
Chemical Name:
1H-1,2,4-Triazole-3-carboxylic acid, 1-(2-fluorophenyl)-
CAS Number:
1245648-20-7
Molecular Formula:
C9H6FN3O2
Molecular Weight:
207.1612
IUPAC Name:
1-(2-fluorophenyl)-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C9H6FN3O2/c10-6-3-1-2-4-7(6)13-5-11-8(12-13)9(14)15/h1-5H,(H,14,15)
InChI Key:
ACRKTRVYIVKVES-UHFFFAOYSA-N
SMILES:
Fc1ccccc1n1cnc(n1)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.164g/mol
Monoisotopic Mass:
207.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.