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87071-06-5 | 2-bromo-3-(1-piperidyl)-2,3-dihydrobenzothiophene 1,1-dioxide
CAS No: 87071-06-5 Catalog No: AG004JD4 MDL No:
Product Description
Catalog Number:
AG004JD4
Chemical Name:
2-bromo-3-(1-piperidyl)-2,3-dihydrobenzothiophene 1,1-dioxide
CAS Number:
87071-06-5
Molecular Formula:
C13H16BrNO2S
Molecular Weight:
330.2406
IUPAC Name:
2-bromo-3-piperidin-1-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
InChI:
InChI=1S/C13H16BrNO2S/c14-13-12(15-8-4-1-5-9-15)10-6-2-3-7-11(10)18(13,16)17/h2-3,6-7,12-13H,1,4-5,8-9H2
InChI Key:
XWSDTNCPIPMWKN-UHFFFAOYSA-N
SMILES:
BrC1C(N2CCCCC2)c2c(S1(=O)=O)cccc2
NSC Number:
133585
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.009g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.24g/mol
Monoisotopic Mass:
329.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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