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209732-08-1 | [1,1'-Biphenyl]-4-amine, 3-fluoro-2'-(methylthio)-
CAS No: 209732-08-1 Catalog No: AG002KDE MDL No:
Product Description
Catalog Number:
AG002KDE
Chemical Name:
[1,1'-Biphenyl]-4-amine, 3-fluoro-2'-(methylthio)-
CAS Number:
209732-08-1
Molecular Formula:
C13H12FNS
Molecular Weight:
233.3045
IUPAC Name:
2-fluoro-4-(2-methylsulfanylphenyl)aniline
InChI:
InChI=1S/C13H12FNS/c1-16-13-5-3-2-4-10(13)9-6-7-12(15)11(14)8-9/h2-8H,15H2,1H3
InChI Key:
VYZBIHWWZZJZRA-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1ccc(c(c1)F)N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.304g/mol
Monoisotopic Mass:
233.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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