Home Other Building Blocks 8-fluoro-3,4-dihydro-1H-2-benzothiopyran-4-one

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

CAS No.:
186424-40-8
Catalog Number:
AG01A2MH
Molecular Formula:
C9H7FOS
Molecular Weight:
182.2147
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Product Description
Catalog Number:
AG01A2MH
Chemical Name:
8-fluoro-3,4-dihydro-1H-2-benzothiopyran-4-one
CAS Number:
186424-40-8
Molecular Formula:
C9H7FOS
Molecular Weight:
182.2147
MDL Number:
MFCD22741195
IUPAC Name:
8-fluoro-1H-isothiochromen-4-one
InChI:
InChI=1S/C9H7FOS/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3H,4-5H2
InChI Key:
DVWHBRWKXWOHEA-UHFFFAOYSA-N
SMILES:
O=C1CSCc2c1cccc2F
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.212g/mol
Monoisotopic Mass:
182.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties