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100831-31-0 | 2H-1,4-Benzothiazin-3(4H)-one, 5,7-dichloro-
CAS No: 100831-31-0 Catalog No: AG0002Z5 MDL No:
Product Description
Catalog Number:
AG0002Z5
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 5,7-dichloro-
CAS Number:
100831-31-0
Molecular Formula:
C8H5Cl2NOS
Molecular Weight:
234.1024
IUPAC Name:
5,7-dichloro-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H5Cl2NOS/c9-4-1-5(10)8-6(2-4)13-3-7(12)11-8/h1-2H,3H2,(H,11,12)
InChI Key:
QQCHUALXZIRGNY-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)c(Cl)cc(c2)Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.947g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.094g/mol
Monoisotopic Mass:
232.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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