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Home > Fluorides > 1379311-91-7
1379311-91-7 | 3-iso-Butoxy-4-fluorothiophenol
CAS No: 1379311-91-7 Catalog No: AG01FEWA MDL No:
Product Description
Catalog Number:
AG01FEWA
Chemical Name:
3-iso-Butoxy-4-fluorothiophenol
CAS Number:
1379311-91-7
Molecular Formula:
C10H13FOS
Molecular Weight:
200.2730
IUPAC Name:
4-fluoro-3-(2-methylpropoxy)benzenethiol
InChI:
InChI=1S/C10H13FOS/c1-7(2)6-12-10-5-8(13)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3
InChI Key:
ZATYNCCXLHAGKN-UHFFFAOYSA-N
SMILES:
CC(COc1cc(S)ccc1F)C
Properties
Complexity:
152
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:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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