Name: Name:2-(Chloromethyl)-4-Isopropyl-6-Methoxybenzo[D]Isothiazol-3(2H)-One 1,1-Dioxide
Brand: Angene
SKU: AG01DJI1
Rating: 90 (10 reviews)

2-(Chloromethyl)-4-Isopropyl-6-Methoxybenzo[D]Isothiazol-3(2H)-One 1,1-Dioxide

CAS No.:

142577-03-5

Catalog Number:

AG01DJI1

Molecular Formula:

C12H14ClNO4S

Molecular Weight:

303.7619

Catalog Number:

AG01DJI1

Chemical Name:

2-(Chloromethyl)-4-Isopropyl-6-Methoxybenzo[D]Isothiazol-3(2H)-One 1,1-Dioxide

CAS Number:

142577-03-5

Molecular Formula:

C12H14ClNO4S

Molecular Weight:

303.7619

MDL Number:

MFCD30472101

IUPAC Name:

2-(chloromethyl)-6-methoxy-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one

InChI:

InChI=1S/C12H14ClNO4S/c1-7(2)9-4-8(18-3)5-10-11(9)12(15)14(6-13)19(10,16)17/h4-5,7H,6H2,1-3H3

InChI Key:

IAVWIJNTOZKJNL-UHFFFAOYSA-N

SMILES:

ClCN1C(=O)c2c(S1(=O)=O)cc(cc2C(C)C)OC

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.757g/mol

Monoisotopic Mass:

303.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4