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174414-93-8 | Benzenethiol, 4-bromo-2-fluoro-
CAS No: 174414-93-8 Catalog No: AG001ZND MDL No:MFCD09475475
Product Description
Catalog Number:
AG001ZND
Chemical Name:
Benzenethiol, 4-bromo-2-fluoro-
CAS Number:
174414-93-8
Molecular Formula:
C6H4BrFS
Molecular Weight:
207.0634
MDL Number:
MFCD09475475
IUPAC Name:
4-bromo-2-fluorobenzenethiol
InChI:
InChI=1S/C6H4BrFS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChI Key:
KENIDQSHNHNYOY-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)S
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.06g/mol
Monoisotopic Mass:
205.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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