Name: Name:3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepine 1,1-dioxide
Brand: Angene
SKU: AG01EION
Rating: 90 (10 reviews)

3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepine 1,1-dioxide

CAS No.:

1799973-91-3

Catalog Number:

AG01EION

Molecular Formula:

C8H9NO3S

Molecular Weight:

199.2270

Catalog Number:

AG01EION

Chemical Name:

3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepine 1,1-dioxide

CAS Number:

1799973-91-3

Molecular Formula:

C8H9NO3S

Molecular Weight:

199.2270

MDL Number:

MFCD28969714

IUPAC Name:

3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide

InChI:

InChI=1S/C8H9NO3S/c10-13(11)8-4-2-1-3-7(8)12-6-5-9-13/h1-4,9H,5-6H2

InChI Key:

OMLZQCAXQZDRQH-UHFFFAOYSA-N

SMILES:

O=S1(=O)NCCOc2c1cccc2

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.224g/mol

Monoisotopic Mass:

199.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6