Isoindoline-​5-​carbonitrile hydrochloride (OR) 2,​3-​dihydro-​1H-​isoindole-​5-​carbonitrile hydrochloride


Chemical Name: Isoindoline-​5-​carbonitrile hydrochloride (OR) 2,​3-​dihydro-​1H-​isoindole-​5-​carbonitrile hydrochloride
CAS Number: 1159823-51-4
Product Number: AG000HC8(AGN-PC-0WAKT1)
Synonyms:
MDL No:
Molecular Formula: C9H9ClN2
Molecular Weight: 180.6342

Identification/Properties


Computed Properties
Molecular Weight:
180.635g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
180.045g/mol
Monoisotopic Mass:
180.045g/mol
Topological Polar Surface Area:
35.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
191
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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