Name: Name:1-(4-iodophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG019V2N
Rating: 90 (10 reviews)

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

CAS No.:

20725-36-4

Catalog Number:

AG019V2N

Molecular Formula:

C10H8IN3O2

Molecular Weight:

329.0939

Catalog Number:

AG019V2N

Chemical Name:

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

CAS Number:

20725-36-4

Molecular Formula:

C10H8IN3O2

Molecular Weight:

329.0939

MDL Number:

MFCD09040633

IUPAC Name:

1-(4-iodophenyl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H8IN3O2/c1-6-9(10(15)16)12-13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)

InChI Key:

CHOVDBQJVBKCBR-UHFFFAOYSA-N

SMILES:

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

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.966g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.097g/mol

Monoisotopic Mass:

328.966g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3