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181124-40-3 | 6-Benzothiazolesulfonyl chloride
CAS No: 181124-40-3 Catalog No: AG0022P0 MDL No:MFCD03086100
Product Description
Catalog Number:
AG0022P0
Chemical Name:
6-Benzothiazolesulfonyl chloride
CAS Number:
181124-40-3
Molecular Formula:
C7H4ClNO2S2
Molecular Weight:
233.6952
MDL Number:
MFCD03086100
IUPAC Name:
1,3-benzothiazole-6-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H
InChI Key:
XQOLJTWXFUSVOR-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)scn2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.684g/mol
Monoisotopic Mass:
232.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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