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191662-26-7 | 1,2-Benzisothiazol-3(2H)-one, 2-(5-bromopentyl)-
CAS No: 191662-26-7 Catalog No: AG002FE8 MDL No:
Product Description
Catalog Number:
AG002FE8
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(5-bromopentyl)-
CAS Number:
191662-26-7
Molecular Formula:
C12H14BrNOS
Molecular Weight:
300.2147
IUPAC Name:
2-(5-bromopentyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C12H14BrNOS/c13-8-4-1-5-9-14-12(15)10-6-2-3-7-11(10)16-14/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
AIMCUDLPHPWRGH-UHFFFAOYSA-N
SMILES:
BrCCCCCn1sc2c(c1=O)cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.214g/mol
Monoisotopic Mass:
298.998g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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