Name: Name:7-bromo-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-sulfonyl chloride
Brand: Angene
SKU: AG01B28Z
Rating: 90 (10 reviews)

7-bromo-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-sulfonyl chloride

CAS No.:

1989659-72-4

Catalog Number:

AG01B28Z

Molecular Formula:

C9H7BrClNO4S

Molecular Weight:

340.5782

Catalog Number:

AG01B28Z

Chemical Name:

7-bromo-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-sulfonyl chloride

CAS Number:

1989659-72-4

Molecular Formula:

C9H7BrClNO4S

Molecular Weight:

340.5782

MDL Number:

MFCD30342742

IUPAC Name:

7-bromo-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-9-sulfonyl chloride

InChI:

InChI=1S/C9H7BrClNO4S/c10-5-3-6-8(7(4-5)17(11,14)15)16-2-1-12-9(6)13/h3-4H,1-2H2,(H,12,13)

InChI Key:

RUSXBBPZCIMKCV-UHFFFAOYSA-N

SMILES:

Brc1cc2C(=O)NCCOc2c(c1)S(=O)(=O)Cl

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.897g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.572g/mol

Monoisotopic Mass:

338.897g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7