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99615-69-7 | 6-Benzothiazolecarbonylchloride, 2,3-dihydro-2-oxo-
CAS No: 99615-69-7 Catalog No: AG006NM6 MDL No:
Product Description
Catalog Number:
AG006NM6
Chemical Name:
6-Benzothiazolecarbonylchloride, 2,3-dihydro-2-oxo-
CAS Number:
99615-69-7
Molecular Formula:
C8H4ClNO2S
Molecular Weight:
213.6409
IUPAC Name:
2-oxo-3H-1,3-benzothiazole-6-carbonyl chloride
InChI:
InChI=1S/C8H4ClNO2S/c9-7(11)4-1-2-5-6(3-4)13-8(12)10-5/h1-3H,(H,10,12)
InChI Key:
QCYNXOWNRBRMFN-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.635g/mol
Monoisotopic Mass:
212.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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