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35674-56-7 | 2-benzylisoquinolinium chloride
CAS No: 35674-56-7 Catalog No: AG00CPSD MDL No:
Product Description
Catalog Number:
AG00CPSD
Chemical Name:
2-benzylisoquinolinium chloride
CAS Number:
35674-56-7
IUPAC Name:
2-benzylisoquinolin-2-ium;chloride
InChI:
InChI=1S/C16H14N.ClH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-11,13H,12H2;1H/q+1;/p-1
InChI Key:
RFBYOCFNLRHJGJ-UHFFFAOYSA-M
EC Number:
252-666-9
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.745g/mol
Monoisotopic Mass:
255.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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