Name: Name:1-(3-aminophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG019V5K
Rating: 90 (10 reviews)

1-(3-aminophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1147675-34-0

Catalog Number:

AG019V5K

Molecular Formula:

C11H12N4O2

Molecular Weight:

232.2386

Catalog Number:

AG019V5K

Chemical Name:

1-(3-aminophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1147675-34-0

Molecular Formula:

C11H12N4O2

Molecular Weight:

232.2386

MDL Number:

MFCD12197025

IUPAC Name:

1-(3-aminophenyl)-5-ethyltriazole-4-carboxylic acid

InChI:

InChI=1S/C11H12N4O2/c1-2-9-10(11(16)17)13-14-15(9)8-5-3-4-7(12)6-8/h3-6H,2,12H2,1H3,(H,16,17)

InChI Key:

QRYFTINPHMKNBZ-UHFFFAOYSA-N

SMILES:

CCc1c(nnn1c1cccc(c1)N)C(=O)O

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.243g/mol

Monoisotopic Mass:

232.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4