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Home > Fluorides > 1443310-59-5
1443310-59-5 | 4,5-Difluoro-3-n-pentoxythiophenol
CAS No: 1443310-59-5 Catalog No: AG01FE7D MDL No:
Product Description
Catalog Number:
AG01FE7D
Chemical Name:
4,5-Difluoro-3-n-pentoxythiophenol
CAS Number:
1443310-59-5
Molecular Formula:
C11H14F2OS
Molecular Weight:
232.2901
IUPAC Name:
3,4-difluoro-5-pentoxybenzenethiol
InChI:
InChI=1S/C11H14F2OS/c1-2-3-4-5-14-10-7-8(15)6-9(12)11(10)13/h6-7,15H,2-5H2,1H3
InChI Key:
NSJAGRQNNQYRJU-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(S)cc(c1F)F
Properties
Complexity:
180
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:
5
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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