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81357-90-6 | Isoquinolinium, 2-acetyl-, chloride
CAS No: 81357-90-6 Catalog No: AG005328 MDL No:
Product Description
Catalog Number:
AG005328
Chemical Name:
Isoquinolinium, 2-acetyl-, chloride
CAS Number:
81357-90-6
Molecular Formula:
C11H10ClNO
Molecular Weight:
207.6562
IUPAC Name:
1-isoquinolin-2-ium-2-ylethanone;chloride
InChI:
InChI=1S/C11H10NO.ClH/c1-9(13)12-7-6-10-4-2-3-5-11(10)8-12;/h2-8H,1H3;1H/q+1;/p-1
InChI Key:
SLTJIDXDHSQRDU-UHFFFAOYSA-M
SMILES:
CC(=O)[n+]1ccc2c(c1)cccc2.[Cl-]
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.657g/mol
Monoisotopic Mass:
207.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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