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1443355-33-6 | 3-Fluoro-4-[(n-pentyloxy)methyl]thiophenol
CAS No: 1443355-33-6 Catalog No: AG01FBD8 MDL No:
Product Description
Catalog Number:
AG01FBD8
Chemical Name:
3-Fluoro-4-[(n-pentyloxy)methyl]thiophenol
CAS Number:
1443355-33-6
Molecular Formula:
C12H17FOS
Molecular Weight:
228.3262
IUPAC Name:
3-fluoro-4-(pentoxymethyl)benzenethiol
InChI:
InChI=1S/C12H17FOS/c1-2-3-4-7-14-9-10-5-6-11(15)8-12(10)13/h5-6,8,15H,2-4,7,9H2,1H3
InChI Key:
OZRSRSHAIFRSHB-UHFFFAOYSA-N
SMILES:
CCCCCOCc1ccc(cc1F)S
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.325g/mol
Monoisotopic Mass:
228.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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