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20600-44-6 | 2(3H)-Benzothiazolone, 5-chloro-
CAS No: 20600-44-6 Catalog No: AG002AGQ MDL No:MFCD00060125
Product Description
Catalog Number:
AG002AGQ
Chemical Name:
2(3H)-Benzothiazolone, 5-chloro-
CAS Number:
20600-44-6
Molecular Formula:
C7H4ClNOS
Molecular Weight:
185.6308
MDL Number:
MFCD00060125
IUPAC Name:
5-chloro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key:
NOVHYVKPKWACML-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]c(=O)s2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.625g/mol
Monoisotopic Mass:
184.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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