Name: Name:ethyl 2-(1,1-dioxo-1lambda6,2-benzothiazol-3-yl)acetate
Brand: Angene
SKU: AG01C5CP
Rating: 90 (10 reviews)

ethyl 2-(1,1-dioxo-1lambda6,2-benzothiazol-3-yl)acetate

CAS No.:

1955523-68-8

Catalog Number:

AG01C5CP

Molecular Formula:

C11H11NO4S

Molecular Weight:

253.2743

Catalog Number:

AG01C5CP

Chemical Name:

ethyl 2-(1,1-dioxo-1lambda6,2-benzothiazol-3-yl)acetate

CAS Number:

1955523-68-8

Molecular Formula:

C11H11NO4S

Molecular Weight:

253.2743

MDL Number:

MFCD29991367

IUPAC Name:

ethyl 2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetate

InChI:

InChI=1S/C11H11NO4S/c1-2-16-11(13)7-9-8-5-3-4-6-10(8)17(14,15)12-9/h3-6H,2,7H2,1H3

InChI Key:

WMHPFMQRSMRBOH-UHFFFAOYSA-N

SMILES:

CCOC(=O)CC1=NS(=O)(=O)c2c1cccc2

Complexity:

435

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.272g/mol

Monoisotopic Mass:

253.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4