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166190-02-9 | Benzonitrile, 3-(2-phenoxyacetyl)-
CAS No: 166190-02-9 Catalog No: AG001WK1 MDL No:
Product Description
Catalog Number:
AG001WK1
Chemical Name:
Benzonitrile, 3-(2-phenoxyacetyl)-
CAS Number:
166190-02-9
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
3-(2-phenoxyacetyl)benzonitrile
InChI:
InChI=1S/C15H11NO2/c16-10-12-5-4-6-13(9-12)15(17)11-18-14-7-2-1-3-8-14/h1-9H,11H2
InChI Key:
RDYVYYWWEJFVEH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)COc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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