Home Halogens 1,3-dichloro-4,5,6,7-tetrahydro-2-benzothiophen-4-one

1,3-dichloro-4,5,6,7-tetrahydro-2-benzothiophen-4-one

CAS No.:
35061-13-3
Catalog Number:
AG019YH1
Molecular Formula:
C8H6Cl2OS
Molecular Weight:
221.1036
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Product Description
Catalog Number:
AG019YH1
Chemical Name:
1,3-dichloro-4,5,6,7-tetrahydro-2-benzothiophen-4-one
CAS Number:
35061-13-3
Molecular Formula:
C8H6Cl2OS
Molecular Weight:
221.1036
MDL Number:
MFCD22375218
IUPAC Name:
1,3-dichloro-6,7-dihydro-5H-2-benzothiophen-4-one
InChI:
InChI=1S/C8H6Cl2OS/c9-7-4-2-1-3-5(11)6(4)8(10)12-7/h1-3H2
InChI Key:
ZNWYWECRFKSGNU-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(Cl)sc2Cl
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.952g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.095g/mol
Monoisotopic Mass:
219.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties