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Home > Fluorides > 1443302-92-8
1443302-92-8 | 4,5-Difluoro-3-iso-pentoxythiophenol
CAS No: 1443302-92-8 Catalog No: AG01FDJQ MDL No:
Product Description
Catalog Number:
AG01FDJQ
Chemical Name:
4,5-Difluoro-3-iso-pentoxythiophenol
CAS Number:
1443302-92-8
Molecular Formula:
C11H14F2OS
Molecular Weight:
232.2901
IUPAC Name:
3,4-difluoro-5-(3-methylbutoxy)benzenethiol
InChI:
InChI=1S/C11H14F2OS/c1-7(2)3-4-14-10-6-8(15)5-9(12)11(10)13/h5-7,15H,3-4H2,1-2H3
InChI Key:
OGGDDBNCAFGHPU-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(S)cc(c1F)F)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.289g/mol
Monoisotopic Mass:
232.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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