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157117-83-4 | Benzonitrile, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-
CAS No: 157117-83-4 Catalog No: AG001P82 MDL No:MFCD01312921
Product Description
Catalog Number:
AG001P82
Chemical Name:
Benzonitrile, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-
CAS Number:
157117-83-4
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
MDL Number:
MFCD01312921
IUPAC Name:
2-[(1,3-dioxoisoindol-2-yl)methyl]benzonitrile
InChI:
InChI=1S/C16H10N2O2/c17-9-11-5-1-2-6-12(11)10-18-15(19)13-7-3-4-8-14(13)16(18)20/h1-8H,10H2
InChI Key:
WNDRLQVACLZPRI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.268g/mol
Monoisotopic Mass:
262.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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