Name: Name:5-cyclopropyl-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01A8C4
Rating: 90 (10 reviews)

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

CAS No.:

1017423-32-3

Catalog Number:

AG01A8C4

Molecular Formula:

C12H10FN3O2

Molecular Weight:

247.2251

Catalog Number:

AG01A8C4

Chemical Name:

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

CAS Number:

1017423-32-3

Molecular Formula:

C12H10FN3O2

Molecular Weight:

247.2251

MDL Number:

MFCD10003269

IUPAC Name:

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

InChI:

InChI=1S/C12H10FN3O2/c13-8-3-5-9(6-4-8)16-11(7-1-2-7)10(12(17)18)14-15-16/h3-7H,1-2H2,(H,17,18)

InChI Key:

OLTNYLZYMCYMCR-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C1CC1)c1ccc(cc1)F

Complexity:

329

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