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101337-95-5 | 2H-1,4-Benzothiazin-3(4H)-one, 8-chloro-7-fluoro-
CAS No: 101337-95-5 Catalog No: AG000498 MDL No:
Product Description
Catalog Number:
AG000498
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 8-chloro-7-fluoro-
CAS Number:
101337-95-5
Molecular Formula:
C8H5ClFNOS
Molecular Weight:
217.6478
IUPAC Name:
8-chloro-7-fluoro-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H5ClFNOS/c9-7-4(10)1-2-5-8(7)13-3-6(12)11-5/h1-2H,3H2,(H,11,12)
InChI Key:
UZKCXEZQAMGDEX-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)ccc(c2Cl)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.642g/mol
Monoisotopic Mass:
216.976g/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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