Name: Name:3-amino-2-[(2-cyanophenyl)methyl]-1H-isoindol-2-ium chloride
Brand: Angene
SKU: AG01A0VC
Rating: 90 (10 reviews)

3-amino-2-[(2-cyanophenyl)methyl]-1H-isoindol-2-ium chloride

CAS No.:

400880-08-2

Catalog Number:

AG01A0VC

Molecular Formula:

C16H14ClN3

Molecular Weight:

283.7555

Catalog Number:

AG01A0VC

Chemical Name:

3-amino-2-[(2-cyanophenyl)methyl]-1H-isoindol-2-ium chloride

CAS Number:

400880-08-2

Molecular Formula:

C16H14ClN3

Molecular Weight:

283.7555

MDL Number:

MFCD00192988

IUPAC Name:

2-[(3-amino-1H-isoindol-2-ium-2-yl)methyl]benzonitrile;chloride

InChI:

InChI=1S/C16H13N3.ClH/c17-9-12-5-1-2-6-13(12)10-19-11-14-7-3-4-8-15(14)16(19)18;/h1-8,18H,10-11H2;1H

InChI Key:

MIMFBZNGGRKDIT-UHFFFAOYSA-N

SMILES:

N#Cc1ccccc1C[N+]1=C(N)c2c(C1)cccc2.[Cl-]

Complexity:

417

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.759g/mol

Monoisotopic Mass:

283.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: