Name: Name:4-Bromo-2-tert-butyl-1,1-dioxo-1,2-dihydroisothiazol-3-one
Brand: Angene
SKU: AG009D5M
Rating: 90 (10 reviews)

4-Bromo-2-tert-butyl-1,1-dioxo-1,2-dihydroisothiazol-3-one

CAS No.:

126623-65-2

Catalog Number:

AG009D5M

Molecular Formula:

C7H10BrNO3S

Molecular Weight:

268.1282

Catalog Number:

AG009D5M

Chemical Name:

4-Bromo-2-tert-butyl-1,1-dioxo-1,2-dihydroisothiazol-3-one

CAS Number:

126623-65-2

Molecular Formula:

C7H10BrNO3S

Molecular Weight:

268.1282

MDL Number:

MFCD11519233

IUPAC Name:

4-bromo-2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one

InChI:

InChI=1S/C7H10BrNO3S/c1-7(2,3)9-6(10)5(8)4-13(9,11)12/h4H,1-3H3

InChI Key:

GDUZDXFNMOFVIH-UHFFFAOYSA-N

SMILES:

BrC1=CS(=O)(=O)N(C1=O)C(C)(C)C

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.956g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.125g/mol

Monoisotopic Mass:

266.956g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1