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909421-73-4

909421-73-4 | 3-(2-CYANOBENZOYL)THIOPHENE

CAS No: 909421-73-4 Catalog No: AG006GD8 MDL No:

Product Description

Catalog Number:
AG006GD8
Chemical Name:
3-(2-CYANOBENZOYL)THIOPHENE
CAS Number:
909421-73-4
Molecular Formula:
C12H7NOS
Molecular Weight:
213.2551
IUPAC Name:
2-(thiophene-3-carbonyl)benzonitrile
InChI:
InChI=1S/C12H7NOS/c13-7-9-3-1-2-4-11(9)12(14)10-5-6-15-8-10/h1-6,8H
InChI Key:
SVJUZHDFRHFERO-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(=O)c1ccsc1

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.254g/mol
Monoisotopic Mass:
213.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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