Name: Name:4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid
Brand: Angene
SKU: AG002317
Rating: 90 (10 reviews)

4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid

CAS No.:

181696-35-5

Catalog Number:

AG002317

Molecular Formula:

C16H13NO4S

Molecular Weight:

315.3437

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

98%

1 week

United States

$66

- +

250mg

98%

1 week

United States

$106

- +

Catalog Number:

AG002317

Chemical Name:

4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid

CAS Number:

181696-35-5

Molecular Formula:

C16H13NO4S

Molecular Weight:

315.3437

MDL Number:

MFCD31543896

IUPAC Name:

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid

InChI:

InChI=1S/C16H13NO4S/c1-11-15(12-7-9-14(10-8-12)22(18,19)20)16(17-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19,20)

InChI Key:

LLWOSCPRJRUVST-UHFFFAOYSA-N

SMILES:

Cc1onc(c1c1ccc(cc1)S(=O)(=O)O)c1ccccc1

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

315.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

315.343g/mol

Monoisotopic Mass:

315.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8