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1196-19-6

1196-19-6 | Benzo[b]thiophene, 3-(bromomethyl)-

CAS No: 1196-19-6 Catalog No: AG000P8R MDL No:MFCD00098683

Product Description

Catalog Number:
AG000P8R
Chemical Name:
Benzo[b]thiophene, 3-(bromomethyl)-
CAS Number:
1196-19-6
Molecular Formula:
C9H7BrS
Molecular Weight:
227.1209
MDL Number:
MFCD00098683
IUPAC Name:
3-(bromomethyl)-1-benzothiophene
InChI:
InChI=1S/C9H7BrS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChI Key:
WYKHJZSILIVQKU-UHFFFAOYSA-N
SMILES:
BrCc1csc2c1cccc2

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.945g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.119g/mol
Monoisotopic Mass:
225.945g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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