Name: Name:7-bromo-2,3,4,5-tetrahydro-1lambda6-benzothiepine-1,1,5-trione
Brand: Angene
SKU: AG01DUZ3
Rating: 90 (10 reviews)

7-bromo-2,3,4,5-tetrahydro-1lambda6-benzothiepine-1,1,5-trione

CAS No.:

1098359-85-3

Catalog Number:

AG01DUZ3

Molecular Formula:

C10H9BrO3S

Molecular Weight:

289.1457

Catalog Number:

AG01DUZ3

Chemical Name:

7-bromo-2,3,4,5-tetrahydro-1lambda6-benzothiepine-1,1,5-trione

CAS Number:

1098359-85-3

Molecular Formula:

C10H9BrO3S

Molecular Weight:

289.1457

MDL Number:

MFCD11642578

IUPAC Name:

7-bromo-1,1-dioxo-3,4-dihydro-2H-1λ6-benzothiepin-5-one

InChI:

InChI=1S/C10H9BrO3S/c11-7-3-4-10-8(6-7)9(12)2-1-5-15(10,13)14/h3-4,6H,1-2,5H2

InChI Key:

TURVPMRZFWJFMG-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)C(=O)CCCS2(=O)=O

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.143g/mol

Monoisotopic Mass:

287.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7