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1379351-06-0 | 3-n-Butoxy-5-fluorothiophenol
CAS No: 1379351-06-0 Catalog No: AG01FF6A MDL No:
Product Description
Catalog Number:
AG01FF6A
Chemical Name:
3-n-Butoxy-5-fluorothiophenol
CAS Number:
1379351-06-0
Molecular Formula:
C10H13FOS
Molecular Weight:
200.2730
IUPAC Name:
3-butoxy-5-fluorobenzenethiol
InChI:
InChI=1S/C10H13FOS/c1-2-3-4-12-9-5-8(11)6-10(13)7-9/h5-7,13H,2-4H2,1H3
InChI Key:
KLZORTFFCITTPB-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(F)cc(c1)S
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.271g/mol
Monoisotopic Mass:
200.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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