Name: Name:1-Benzothiepin-5(2H)-one, 7-bromo-3,4-dihydro-
Brand: Angene
SKU: AG001MWO
Rating: 90 (10 reviews)

1-Benzothiepin-5(2H)-one, 7-bromo-3,4-dihydro-

CAS No.:

15084-55-6

Catalog Number:

AG001MWO

Molecular Formula:

C10H9BrOS

Molecular Weight:

257.1469

Catalog Number:

AG001MWO

Chemical Name:

1-Benzothiepin-5(2H)-one, 7-bromo-3,4-dihydro-

CAS Number:

15084-55-6

Molecular Formula:

C10H9BrOS

Molecular Weight:

257.1469

MDL Number:

MFCD08706249

IUPAC Name:

7-bromo-3,4-dihydro-2H-1-benzothiepin-5-one

InChI:

InChI=1S/C10H9BrOS/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6H,1-2,5H2

InChI Key:

RTRHFNSMIKVOHZ-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)C(=O)CCCS2

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.956g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.145g/mol

Monoisotopic Mass:

255.956g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: