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203586-00-9 | Isoquinolinium, 2-(phenylamino)-, chloride (1:1)
CAS No: 203586-00-9 Catalog No: AG0028ZZ MDL No:
Product Description
Catalog Number:
AG0028ZZ
Chemical Name:
Isoquinolinium, 2-(phenylamino)-, chloride (1:1)
CAS Number:
203586-00-9
Molecular Formula:
C15H13ClN2
Molecular Weight:
256.7301
IUPAC Name:
N-phenylisoquinolin-2-ium-2-amine;chloride
InChI:
InChI=1S/C15H13N2.ClH/c1-2-8-15(9-3-1)16-17-11-10-13-6-4-5-7-14(13)12-17;/h1-12,16H;1H/q+1;/p-1
InChI Key:
GVUPYLYPLNJYEA-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)N[n+]1ccc2c(c1)cccc2.[Cl-]
NSC Number:
311453
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.733g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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