Benzonitrile, 4-(3-thienyl)-


Chemical Name: Benzonitrile, 4-(3-thienyl)-
CAS Number: 172507-33-4
Product Number: AG00AQ17(AGN-PC-0L5V2I)
Synonyms:
MDL No:
Molecular Formula: C11H7NS
Molecular Weight: 185.24498

Identification/Properties


Computed Properties
Molecular Weight:
185.244g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
185.03g/mol
Monoisotopic Mass:
185.03g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
209
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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