200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1245648-27-4
1245648-27-4 | 1H-1,2,4-Triazole-3-carboxylic acid, 1-[3-(trifluoromethyl)phenyl]-
CAS No: 1245648-27-4 Catalog No: AG000MCS MDL No:
Product Description
Catalog Number:
AG000MCS
Chemical Name:
1H-1,2,4-Triazole-3-carboxylic acid, 1-[3-(trifluoromethyl)phenyl]-
CAS Number:
1245648-27-4
Molecular Formula:
C10H6F3N3O2
Molecular Weight:
257.1687
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C10H6F3N3O2/c11-10(12,13)6-2-1-3-7(4-6)16-5-14-8(15-16)9(17)18/h1-5H,(H,17,18)
InChI Key:
TXLXIOKBTUWPMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn(n1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.172g/mol
Monoisotopic Mass:
257.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.