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121820-25-5 | Benzeneacetonitrile, 2-(9H-fluoren-9-yl)-
CAS No: 121820-25-5 Catalog No: AG00163C MDL No:
Product Description
Catalog Number:
AG00163C
Chemical Name:
Benzeneacetonitrile, 2-(9H-fluoren-9-yl)-
CAS Number:
121820-25-5
Molecular Formula:
C21H15N
Molecular Weight:
281.3505
IUPAC Name:
2-[2-(9H-fluoren-9-yl)phenyl]acetonitrile
InChI:
InChI=1S/C21H15N/c22-14-13-15-7-1-2-8-16(15)21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21H,13H2
InChI Key:
AXYMXSMLEMOBQC-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1C1c2ccccc2c2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.358g/mol
Monoisotopic Mass:
281.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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