Name: Name:5-cyclopropyl-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01A8FH
Rating: 90 (10 reviews)

5-cyclopropyl-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1096996-62-1

Catalog Number:

AG01A8FH

Molecular Formula:

C12H10FN3O2

Molecular Weight:

247.2251

Catalog Number:

AG01A8FH

Chemical Name:

5-cyclopropyl-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1096996-62-1

Molecular Formula:

C12H10FN3O2

Molecular Weight:

247.2251

MDL Number:

MFCD11540123

IUPAC Name:

5-cyclopropyl-1-(3-fluorophenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C12H10FN3O2/c13-8-2-1-3-9(6-8)16-11(7-4-5-7)10(12(17)18)14-15-16/h1-3,6-7H,4-5H2,(H,17,18)

InChI Key:

QHVFONDASFXSMA-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)n1nnc(c1C1CC1)C(=O)O

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.229g/mol

Monoisotopic Mass:

247.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9