Home Halogens 2,1-Benzisothiazole, 6-bromo-

2,1-Benzisothiazole, 6-bromo-

CAS No.:
20712-08-7
Catalog Number:
AG002IUB
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
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Product Description
Catalog Number:
AG002IUB
Chemical Name:
2,1-Benzisothiazole, 6-bromo-
CAS Number:
20712-08-7
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
MDL Number:
MFCD13176692
IUPAC Name:
6-bromo-2,1-benzothiazole
InChI:
InChI=1S/C7H4BrNS/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H
InChI Key:
CLOSTAZFGDZVCS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nsc2
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.925g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.08g/mol
Monoisotopic Mass:
212.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties