Name: Name:4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Brand: Angene
SKU: AG01A186
Rating: 90 (10 reviews)

4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid

CAS No.:

91088-11-8

Catalog Number:

AG01A186

Molecular Formula:

C11H12N2O3S

Molecular Weight:

252.2896

Catalog Number:

AG01A186

Chemical Name:

4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid

CAS Number:

91088-11-8

Molecular Formula:

C11H12N2O3S

Molecular Weight:

252.2896

MDL Number:

MFCD03216931

IUPAC Name:

4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid

InChI:

InChI=1S/C11H12N2O3S/c1-8-7-9(2)13(12-8)10-3-5-11(6-4-10)17(14,15)16/h3-7H,1-2H3,(H,14,15,16)

InChI Key:

WQRCWANXNSXVRQ-UHFFFAOYSA-N

SMILES:

Cc1nn(c(c1)C)c1ccc(cc1)S(=O)(=O)O

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.288g/mol

Monoisotopic Mass:

252.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4