200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1150703-55-1
1150703-55-1 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-[(3-fluorophenyl)methyl]-5-methyl-
CAS No: 1150703-55-1 Catalog No: AG000FUJ MDL No:MFCD17964756
Product Description
Catalog Number:
AG000FUJ
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(3-fluorophenyl)methyl]-5-methyl-
CAS Number:
1150703-55-1
Molecular Formula:
C11H10FN3O2
Molecular Weight:
235.2144
MDL Number:
MFCD17964756
IUPAC Name:
1-[(3-fluorophenyl)methyl]-5-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C11H10FN3O2/c1-7-10(11(16)17)13-14-15(7)6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H,16,17)
InChI Key:
SKINLZKUUMTHQE-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Cn1nnc(c1C)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.218g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
3
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.