Name: Name:5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG00I9WB
Rating: 90 (10 reviews)

5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:

554436-93-0

Catalog Number:

AG00I9WB

Molecular Formula:

C16H10F3N3O2

Molecular Weight:

333.2647

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Product Description

Catalog Number:

AG00I9WB

Chemical Name:

5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid

CAS Number:

554436-93-0

Molecular Formula:

C16H10F3N3O2

Molecular Weight:

333.2647

MDL Number:

MFCD03987252

IUPAC Name:

5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C16H10F3N3O2/c17-16(18,19)11-7-4-8-12(9-11)22-14(10-5-2-1-3-6-10)20-13(21-22)15(23)24/h1-9H,(H,23,24)

InChI Key:

CDDQIXKYTYICSM-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c(n1)c1ccccc1)c1cccc(c1)C(F)(F)F

Properties

Complexity:

454

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

333.27g/mol

Monoisotopic Mass:

333.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501