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13333-79-4 | Phenol, 3-fluoro-4-(methylthio)-
CAS No: 13333-79-4 Catalog No: AG0014NY MDL No:
Product Description
Catalog Number:
AG0014NY
Chemical Name:
Phenol, 3-fluoro-4-(methylthio)-
CAS Number:
13333-79-4
Molecular Formula:
C7H7FOS
Molecular Weight:
158.1933
IUPAC Name:
3-fluoro-4-methylsulfanylphenol
InChI:
InChI=1S/C7H7FOS/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChI Key:
IPRZAHZGIBFUIV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1F)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.19g/mol
Monoisotopic Mass:
158.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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