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443955-56-4 | 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-sulfonyl chloride
CAS No: 443955-56-4 Catalog No: AG018YK3 MDL No:
Product Description
Catalog Number:
AG018YK3
Chemical Name:
3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-sulfonyl chloride
CAS Number:
443955-56-4
Molecular Formula:
C8H6ClNO3S2
Molecular Weight:
263.7211
IUPAC Name:
3-oxo-4H-1,4-benzothiazine-6-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO3S2/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)
InChI Key:
FEXJVEZCIWUQMB-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.71g/mol
Monoisotopic Mass:
262.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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