Name: Name:5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one
Brand: Angene
SKU: AG001AHI
Rating: 90 (10 reviews)

5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one

CAS No.:

13920-98-4

Catalog Number:

AG001AHI

Molecular Formula:

C8H7NO4S

Molecular Weight:

213.2105

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United States

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Catalog Number:

AG001AHI

Chemical Name:

5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one

CAS Number:

13920-98-4

Molecular Formula:

C8H7NO4S

Molecular Weight:

213.2105

MDL Number:

MFCD02682984

IUPAC Name:

5-methylsulfonyl-3H-1,3-benzoxazol-2-one

InChI:

InChI=1S/C8H7NO4S/c1-14(11,12)5-2-3-7-6(4-5)9-8(10)13-7/h2-4H,1H3,(H,9,10)

InChI Key:

QUKRTJQSGPLQKQ-UHFFFAOYSA-N

SMILES:

O=c1oc2c([nH]1)cc(cc2)S(=O)(=O)C

EC Number:

237-688-9

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.207g/mol

Monoisotopic Mass:

213.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4