Home Halogens 3-(bromomethyl)-6-fluorobenzo[d]isothiazole

3-(bromomethyl)-6-fluorobenzo[d]isothiazole

CAS No.:
851634-48-5
Catalog Number:
AG01DSUC
Molecular Formula:
C8H5BrFNS
Molecular Weight:
246.0994
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Product Description
Catalog Number:
AG01DSUC
Chemical Name:
3-(bromomethyl)-6-fluorobenzo[d]isothiazole
CAS Number:
851634-48-5
Molecular Formula:
C8H5BrFNS
Molecular Weight:
246.0994
MDL Number:
MFCD26631905
IUPAC Name:
3-(bromomethyl)-6-fluoro-1,2-benzothiazole
InChI:
InChI=1S/C8H5BrFNS/c9-4-7-6-2-1-5(10)3-8(6)12-11-7/h1-3H,4H2
InChI Key:
CDEJGOXGPFYOMS-UHFFFAOYSA-N
SMILES:
BrCc1nsc2c1ccc(c2)F
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.931g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.097g/mol
Monoisotopic Mass:
244.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties