Name: Name:6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride
Brand: Angene
SKU: AG019MB3
Rating: 90 (10 reviews)

6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride

CAS No.:

1050884-93-9

Catalog Number:

AG019MB3

Molecular Formula:

C8H5BrClNO4S

Molecular Weight:

326.5516

Catalog Number:

AG019MB3

Chemical Name:

6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride

CAS Number:

1050884-93-9

Molecular Formula:

C8H5BrClNO4S

Molecular Weight:

326.5516

MDL Number:

MFCD10686727

IUPAC Name:

6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride

InChI:

InChI=1S/C8H5BrClNO4S/c9-4-1-5-6(15-3-8(12)11-5)2-7(4)16(10,13)14/h1-2H,3H2,(H,11,12)

InChI Key:

VZLLYSXSXMBKQS-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1)cc(c(c2)S(=O)(=O)Cl)Br

Complexity:

395

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.881g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.545g/mol

Monoisotopic Mass:

324.881g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6