1-Isoquinolinecarbonitrile, 2-benzoyl-1,2-dihydro-


Chemical Name: 1-Isoquinolinecarbonitrile, 2-benzoyl-1,2-dihydro-
CAS Number: 844-25-7
Product Number: AG004SU4(AGN-PC-0JO8T1)
Synonyms:
MDL No:
Molecular Formula: C17H12N2O
Molecular Weight: 260.2900

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
260.296g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
260.095g/mol
Monoisotopic Mass:
260.095g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
441
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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