Home Halogens 7-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione

7-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione

CAS No.:
855997-37-4
Catalog Number:
AG01B573
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
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Product Description
Catalog Number:
AG01B573
Chemical Name:
7-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione
CAS Number:
855997-37-4
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
MDL Number:
MFCD27930078
IUPAC Name:
7-bromo-3,4-dihydro-2H-thiochromene 1,1-dioxide
InChI:
InChI=1S/C9H9BrO2S/c10-8-4-3-7-2-1-5-13(11,12)9(7)6-8/h3-4,6H,1-2,5H2
InChI Key:
DMJMKTQTDONYHP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)S(=O)(=O)CCC2
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.951g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.133g/mol
Monoisotopic Mass:
259.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties