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85582-62-3 | 2-[(3-FLUOROBENZYL)THIO]ETHANOL
CAS No: 85582-62-3 Catalog No: AG004UEX MDL No:MFCD04308181
Product Description
Catalog Number:
AG004UEX
Chemical Name:
2-[(3-FLUOROBENZYL)THIO]ETHANOL
CAS Number:
85582-62-3
Molecular Formula:
C9H11FOS
Molecular Weight:
186.2464
MDL Number:
MFCD04308181
IUPAC Name:
2-[(3-fluorophenyl)methylsulfanyl]ethanol
InChI:
InChI=1S/C9H11FOS/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6,11H,4-5,7H2
InChI Key:
WPHAPQOGPSLSLL-UHFFFAOYSA-N
SMILES:
OCCSCc1cccc(c1)F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.244g/mol
Monoisotopic Mass:
186.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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