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57676-11-6 | 2,1-Benzisothiazole-3-carbonyl chloride (9CI)
CAS No: 57676-11-6 Catalog No: AG00EO69 MDL No:
Product Description
Catalog Number:
AG00EO69
Chemical Name:
2,1-Benzisothiazole-3-carbonyl chloride (9CI)
CAS Number:
57676-11-6
IUPAC Name:
2,1-benzothiazole-3-carbonyl chloride
InChI:
InChI=1S/C8H4ClNOS/c9-8(11)7-5-3-1-2-4-6(5)10-12-7/h1-4H
InChI Key:
HZFCRNJCVODTBT-UHFFFAOYSA-N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.636g/mol
Monoisotopic Mass:
196.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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