Home Halogens Ethyl 6-bromobenzo[d]isothiazole-3-carboxylate

Ethyl 6-bromobenzo[d]isothiazole-3-carboxylate

CAS No.:
858671-74-6
Catalog Number:
AG004R46
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
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Product Description
Catalog Number:
AG004R46
Chemical Name:
Ethyl 6-bromobenzo[d]isothiazole-3-carboxylate
CAS Number:
858671-74-6
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
MDL Number:
MFCD11559044
IUPAC Name:
ethyl 6-bromo-1,2-benzothiazole-3-carboxylate
InChI:
InChI=1S/C10H8BrNO2S/c1-2-14-10(13)9-7-4-3-6(11)5-8(7)15-12-9/h3-5H,2H2,1H3
InChI Key:
ZMOIGRSGHBJKSS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nsc2c1ccc(c2)Br
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.946g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.143g/mol
Monoisotopic Mass:
284.946g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties