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1381944-29-1

1381944-29-1 | [1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-4'-(methylthio)-

CAS No: 1381944-29-1 Catalog No: AG00185Z MDL No:MFCD22375070

Product Description

Catalog Number:
AG00185Z
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-4'-(methylthio)-
CAS Number:
1381944-29-1
Molecular Formula:
C14H10FNS
Molecular Weight:
243.2993
MDL Number:
MFCD22375070
IUPAC Name:
2-fluoro-4-(4-methylsulfanylphenyl)benzonitrile
InChI:
InChI=1S/C14H10FNS/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-8H,1H3
InChI Key:
WSYKTWQDJFYUPX-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(c(c1)F)C#N

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.299g/mol
Monoisotopic Mass:
243.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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