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Home > Fluorides > 1379342-91-2
1379342-91-2 | 4,5-Difluoro-3-n-propoxythiophenol
CAS No: 1379342-91-2 Catalog No: AG01FE6K MDL No:
Product Description
Catalog Number:
AG01FE6K
Chemical Name:
4,5-Difluoro-3-n-propoxythiophenol
CAS Number:
1379342-91-2
Molecular Formula:
C9H10F2OS
Molecular Weight:
204.2369
IUPAC Name:
3,4-difluoro-5-propoxybenzenethiol
InChI:
InChI=1S/C9H10F2OS/c1-2-3-12-8-5-6(13)4-7(10)9(8)11/h4-5,13H,2-3H2,1H3
InChI Key:
UMMAPFJGAZWCCK-UHFFFAOYSA-N
SMILES:
CCCOc1cc(S)cc(c1F)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.235g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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