Name: Name:5-(difluoromethyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01C3WB
Rating: 90 (10 reviews)

5-(difluoromethyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1909306-03-1

Catalog Number:

AG01C3WB

Molecular Formula:

C10H7F2N3O2

Molecular Weight:

239.1783

Catalog Number:

AG01C3WB

Chemical Name:

5-(difluoromethyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1909306-03-1

Molecular Formula:

C10H7F2N3O2

Molecular Weight:

239.1783

MDL Number:

MFCD29906854

IUPAC Name:

5-(difluoromethyl)-1-phenyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H7F2N3O2/c11-9(12)8-7(10(16)17)13-14-15(8)6-4-2-1-3-5-6/h1-5,9H,(H,16,17)

InChI Key:

PXOHWNBANPFVKI-UHFFFAOYSA-N

SMILES:

FC(c1c(nnn1c1ccccc1)C(=O)O)F

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.182g/mol

Monoisotopic Mass:

239.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9