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63755-05-5 | Chlobenthiazone
CAS No: 63755-05-5 Catalog No: AG00EQ8W MDL No:
Product Description
Catalog Number:
AG00EQ8W
Chemical Name:
Chlobenthiazone
CAS Number:
63755-05-5
IUPAC Name:
4-chloro-3-methyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H6ClNOS/c1-10-7-5(9)3-2-4-6(7)12-8(10)11/h2-4H,1H3
InChI Key:
QCPASDYEQAVIJF-UHFFFAOYSA-N
UNII:
CWS1R2VYG3
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.652g/mol
Monoisotopic Mass:
198.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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