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833485-61-3 | Acetonitrile, [(2-benzoyl-1-naphthalenyl)oxy]-
CAS No: 833485-61-3 Catalog No: AG004W5Y MDL No:
Product Description
Catalog Number:
AG004W5Y
Chemical Name:
Acetonitrile, [(2-benzoyl-1-naphthalenyl)oxy]-
CAS Number:
833485-61-3
Molecular Formula:
C19H13NO2
Molecular Weight:
287.3120
IUPAC Name:
2-(2-benzoylnaphthalen-1-yl)oxyacetonitrile
InChI:
InChI=1S/C19H13NO2/c20-12-13-22-19-16-9-5-4-6-14(16)10-11-17(19)18(21)15-7-2-1-3-8-15/h1-11H,13H2
InChI Key:
HKRZSWUOFXMRDJ-UHFFFAOYSA-N
SMILES:
N#CCOc1c(ccc2c1cccc2)C(=O)c1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.318g/mol
Monoisotopic Mass:
287.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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