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81045-42-3 | Quinolinium, 1-benzoyl-, chloride
CAS No: 81045-42-3 Catalog No: AG005HIF MDL No:
Product Description
Catalog Number:
AG005HIF
Chemical Name:
Quinolinium, 1-benzoyl-, chloride
CAS Number:
81045-42-3
Molecular Formula:
C16H12ClNO
Molecular Weight:
269.7256
IUPAC Name:
phenyl(quinolin-1-ium-1-yl)methanone;chloride
InChI:
InChI=1S/C16H12NO.ClH/c18-16(14-8-2-1-3-9-14)17-12-6-10-13-7-4-5-11-15(13)17;/h1-12H;1H/q+1;/p-1
InChI Key:
CYWLGRJAMPRUOS-UHFFFAOYSA-M
SMILES:
O=C([n+]1cccc2c1cccc2)c1ccccc1.[Cl-]
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.728g/mol
Monoisotopic Mass:
269.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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