Home Halogens 8-chloro-3,4-dihydro-2H-1-benzothiopyran-4-one

8-chloro-3,4-dihydro-2H-1-benzothiopyran-4-one

CAS No.:
60639-20-5
Catalog Number:
AG00ELJV
Molecular Formula:
C9H7ClOS
Molecular Weight:
198.6693
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Product Description
Catalog Number:
AG00ELJV
Chemical Name:
8-chloro-3,4-dihydro-2H-1-benzothiopyran-4-one
CAS Number:
60639-20-5
Molecular Formula:
C9H7ClOS
Molecular Weight:
198.6693
MDL Number:
MFCD11190740
IUPAC Name:
8-chloro-2,3-dihydrothiochromen-4-one
InChI:
InChI=1S/C9H7ClOS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChI Key:
POOZGJPLPGPWGR-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c1cccc2Cl
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.991g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.664g/mol
Monoisotopic Mass:
197.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties