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1892-91-7 | 8-Quinolinethiol, 5-fluoro-
CAS No: 1892-91-7 Catalog No: AG002I2G MDL No:
Product Description
Catalog Number:
AG002I2G
Chemical Name:
8-Quinolinethiol, 5-fluoro-
CAS Number:
1892-91-7
Molecular Formula:
C9H6FNS
Molecular Weight:
179.2140
IUPAC Name:
5-fluoroquinoline-8-thiol
InChI:
InChI=1S/C9H6FNS/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChI Key:
MZKDXYJQFUIIQD-UHFFFAOYSA-N
SMILES:
Fc1ccc(c2c1cccn2)S
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.212g/mol
Monoisotopic Mass:
179.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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