Name: Name:5-methyl-1-(4-phenylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGWE
Rating: 90 (10 reviews)

5-methyl-1-(4-phenylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1269151-49-6

Catalog Number:

AG01AGWE

Molecular Formula:

C16H13N3O2

Molecular Weight:

279.2933

Catalog Number:

AG01AGWE

Chemical Name:

5-methyl-1-(4-phenylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1269151-49-6

Molecular Formula:

C16H13N3O2

Molecular Weight:

279.2933

MDL Number:

MFCD18380698

IUPAC Name:

5-methyl-1-(4-phenylphenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C16H13N3O2/c1-11-15(16(20)21)17-18-19(11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)

InChI Key:

AEDOBTXOXIEISO-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)c1ccc(cc1)c1ccccc1

Complexity:

363

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.299g/mol

Monoisotopic Mass:

279.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2