Name: Name:1-(2-Chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG005T6R
Rating: 90 (10 reviews)

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

CAS No.:

99074-45-0

Catalog Number:

AG005T6R

Molecular Formula:

C10H8ClN3O2

Molecular Weight:

237.6424

Catalog Number:

AG005T6R

Chemical Name:

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

CAS Number:

99074-45-0

Molecular Formula:

C10H8ClN3O2

Molecular Weight:

237.6424

MDL Number:

MFCD02168478

IUPAC Name:

1-(2-chlorophenyl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16)12-13-14(6)8-5-3-2-4-7(8)11/h2-5H,1H3,(H,15,16)

InChI Key:

LFEXQNUUUHXDEE-UHFFFAOYSA-N

SMILES:

Clc1ccccc1n1nnc(c1C)C(=O)O

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.643g/mol

Monoisotopic Mass:

237.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2