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87553-88-6 | 4,6-Dichlorobenzo[d]thiazol-2(3H)-one
CAS No: 87553-88-6 Catalog No: AG004JBG MDL No:MFCD09748593
Product Description
Catalog Number:
AG004JBG
Chemical Name:
4,6-Dichlorobenzo[d]thiazol-2(3H)-one
CAS Number:
87553-88-6
Molecular Formula:
C7H3Cl2NOS
Molecular Weight:
220.0758
MDL Number:
MFCD09748593
IUPAC Name:
4,6-dichloro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H3Cl2NOS/c8-3-1-4(9)6-5(2-3)12-7(11)10-6/h1-2H,(H,10,11)
InChI Key:
FAJYYCLIPJHGRV-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc2c1[nH]c(=O)s2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.067g/mol
Monoisotopic Mass:
218.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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