Name: Name:5-ethyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01AJB4
Rating: 90 (10 reviews)

5-ethyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:

1155462-78-4

Catalog Number:

AG01AJB4

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

Catalog Number:

AG01AJB4

Chemical Name:

5-ethyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid

CAS Number:

1155462-78-4

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

MDL Number:

MFCD12106553

IUPAC Name:

5-ethyl-1-phenyl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C11H11N3O2/c1-2-9-12-10(11(15)16)13-14(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,15,16)

InChI Key:

FYEYFUIBSCBRKD-UHFFFAOYSA-N

SMILES:

CCc1nc(nn1c1ccccc1)C(=O)O

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.228g/mol

Monoisotopic Mass:

217.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4