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90814-91-8 | 7-Bromo-2H-benzo[b][1,4]thiazin-3(4H)-one
CAS No: 90814-91-8 Catalog No: AG003NDL MDL No:MFCD02660583
Product Description
Catalog Number:
AG003NDL
Chemical Name:
7-Bromo-2H-benzo[b][1,4]thiazin-3(4H)-one
CAS Number:
90814-91-8
Molecular Formula:
C8H6BrNOS
Molecular Weight:
244.1083
MDL Number:
MFCD02660583
IUPAC Name:
7-bromo-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H6BrNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChI Key:
MDFPWMKBRDOSGB-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)ccc(c2)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.106g/mol
Monoisotopic Mass:
242.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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