Name: Name:8-bromo-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride
Brand: Angene
SKU: AG01AJAY
Rating: 90 (10 reviews)

8-bromo-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride

CAS No.:

953740-14-2

Catalog Number:

AG01AJAY

Molecular Formula:

C9H8BrClO4S

Molecular Weight:

327.5794

Catalog Number:

AG01AJAY

Chemical Name:

8-bromo-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride

CAS Number:

953740-14-2

Molecular Formula:

C9H8BrClO4S

Molecular Weight:

327.5794

MDL Number:

MFCD09729912

IUPAC Name:

7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-sulfonyl chloride

InChI:

InChI=1S/C9H8BrClO4S/c10-6-4-7-8(15-3-1-2-14-7)5-9(6)16(11,12)13/h4-5H,1-3H2

InChI Key:

BMYPFYGYAIAKIY-UHFFFAOYSA-N

SMILES:

Brc1cc2OCCCOc2cc1S(=O)(=O)Cl

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.902g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.573g/mol

Monoisotopic Mass:

325.902g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7