Name: Name:4-(4-ethyl-4H-1,2,4-triazol-3-yl)benzoic acid
Brand: Angene
SKU: AG01A1EX
Rating: 90 (10 reviews)

4-(4-ethyl-4H-1,2,4-triazol-3-yl)benzoic acid

CAS No.:

1343121-90-3

Catalog Number:

AG01A1EX

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

Catalog Number:

AG01A1EX

Chemical Name:

4-(4-ethyl-4H-1,2,4-triazol-3-yl)benzoic acid

CAS Number:

1343121-90-3

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

MDL Number:

MFCD17251887

IUPAC Name:

4-(4-ethyl-1,2,4-triazol-3-yl)benzoic acid

InChI:

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

InChI Key:

XQHFXHJFQUJJHJ-UHFFFAOYSA-N

SMILES:

CCn1cnnc1c1ccc(cc1)C(=O)O

Complexity:

252

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:

0.9