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1443327-30-7 | 4-(3-Fluoro-4-methylphenyl)thiophenol
CAS No: 1443327-30-7 Catalog No: AG01FD5A MDL No:
Product Description
Catalog Number:
AG01FD5A
Chemical Name:
4-(3-Fluoro-4-methylphenyl)thiophenol
CAS Number:
1443327-30-7
Molecular Formula:
C13H11FS
Molecular Weight:
218.2898
IUPAC Name:
4-(3-fluoro-4-methylphenyl)benzenethiol
InChI:
InChI=1S/C13H11FS/c1-9-2-3-11(8-13(9)14)10-4-6-12(15)7-5-10/h2-8,15H,1H3
InChI Key:
GNFLBFAEKJFCQH-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)c1ccc(c(c1)F)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.289g/mol
Monoisotopic Mass:
218.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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