Home Halogens 6-bromo-3,4-dihydro-1H-2-benzothiopyran-4-one

6-bromo-3,4-dihydro-1H-2-benzothiopyran-4-one

CAS No.:
880553-98-0
Catalog Number:
AG01C2ER
Molecular Formula:
C9H7BrOS
Molecular Weight:
243.1203
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C2ER
Chemical Name:
6-bromo-3,4-dihydro-1H-2-benzothiopyran-4-one
CAS Number:
880553-98-0
Molecular Formula:
C9H7BrOS
Molecular Weight:
243.1203
MDL Number:
MFCD21606606
IUPAC Name:
6-bromo-1H-isothiochromen-4-one
InChI:
InChI=1S/C9H7BrOS/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3H,4-5H2
InChI Key:
HPIUPYXHSHXTAW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)CSC2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.94g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.118g/mol
Monoisotopic Mass:
241.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties