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Home > Thiazole > 1803601-02-6
1803601-02-6 | 1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-5-sulfonyl chloride
CAS No: 1803601-02-6 Catalog No: AG01B92C MDL No:MFCD28505689
Product Description
Catalog Number:
AG01B92C
Chemical Name:
1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-5-sulfonyl chloride
CAS Number:
1803601-02-6
Molecular Formula:
C7H4ClNO5S2
Molecular Weight:
281.6934
MDL Number:
MFCD28505689
IUPAC Name:
1,1,3-trioxo-1,2-benzothiazole-5-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO5S2/c8-15(11,12)4-1-2-6-5(3-4)7(10)9-16(6,13)14/h1-3H,(H,9,10)
InChI Key:
FAMOQWHXWQHRKR-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.922g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.681g/mol
Monoisotopic Mass:
280.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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