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1237083-91-8 | [1,1'-Biphenyl]-4-carbonitrile, 3-chloro-2'-(methylthio)-
CAS No: 1237083-91-8 Catalog No: AG000KZG MDL No:MFCD21333025
Product Description
Catalog Number:
AG000KZG
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3-chloro-2'-(methylthio)-
CAS Number:
1237083-91-8
Molecular Formula:
C14H10ClNS
Molecular Weight:
259.7539
MDL Number:
MFCD21333025
IUPAC Name:
2-chloro-4-(2-methylsulfanylphenyl)benzonitrile
InChI:
InChI=1S/C14H10ClNS/c1-17-14-5-3-2-4-12(14)10-6-7-11(9-16)13(15)8-10/h2-8H,1H3
InChI Key:
IMTFSJOXTVBOKR-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1ccc(c(c1)Cl)C#N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.751g/mol
Monoisotopic Mass:
259.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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