Home Nitriles 3-(1-benzothiophen-2-yl)-3-oxopropanenitrile

3-(1-benzothiophen-2-yl)-3-oxopropanenitrile

CAS No.:
1249556-86-2
Catalog Number:
AG01BFWE
Molecular Formula:
C11H7NOS
Molecular Weight:
201.2444
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Product Description
Catalog Number:
AG01BFWE
Chemical Name:
3-(1-benzothiophen-2-yl)-3-oxopropanenitrile
CAS Number:
1249556-86-2
Molecular Formula:
C11H7NOS
Molecular Weight:
201.2444
MDL Number:
MFCD14660419
IUPAC Name:
3-(1-benzothiophen-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H7NOS/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h1-4,7H,5H2
InChI Key:
JBFQOOFQRGZKRF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cc2c(s1)cccc2
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.243g/mol
Monoisotopic Mass:
201.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties