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138993-21-2 | 3-bromo-5-fluoro-1-benzothiophene
CAS No: 138993-21-2 Catalog No: AG01EL4R MDL No:MFCD16293465
Product Description
Catalog Number:
AG01EL4R
Chemical Name:
3-bromo-5-fluoro-1-benzothiophene
CAS Number:
138993-21-2
Molecular Formula:
C8H4BrFS
Molecular Weight:
231.0848
MDL Number:
MFCD16293465
IUPAC Name:
3-bromo-5-fluoro-1-benzothiophene
InChI:
InChI=1S/C8H4BrFS/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H
InChI Key:
HORROOAXKGNKAY-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Br)cs2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.082g/mol
Monoisotopic Mass:
229.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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