Name: Name:2-Butanone, 1-[(4-chlorophenyl)sulfonyl]-3,3-dimethyl-
Brand: Angene
SKU: AG002JD6
Rating: 90 (10 reviews)

2-Butanone, 1-[(4-chlorophenyl)sulfonyl]-3,3-dimethyl-

CAS No.:

207974-06-9

Catalog Number:

AG002JD6

Molecular Formula:

C12H15ClO3S

Molecular Weight:

274.7637

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Product Description

Catalog Number:

AG002JD6

Chemical Name:

2-Butanone, 1-[(4-chlorophenyl)sulfonyl]-3,3-dimethyl-

CAS Number:

207974-06-9

Molecular Formula:

C12H15ClO3S

Molecular Weight:

274.7637

MDL Number:

MFCD00082685

IUPAC Name:

1-(4-chlorophenyl)sulfonyl-3,3-dimethylbutan-2-one

InChI:

InChI=1S/C12H15ClO3S/c1-12(2,3)11(14)8-17(15,16)10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3

InChI Key:

XTIUXIMZIKBBSU-UHFFFAOYSA-N

SMILES:

O=C(C(C)(C)C)CS(=O)(=O)c1ccc(cc1)Cl

Properties

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.759g/mol

Monoisotopic Mass:

274.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties