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7347-85-5 | (1-((2-BENZOYLPHENOXY)METHYL)ETHYL)DIETHYLMETHYLAMMONIUM IODIDE
CAS No: 7347-85-5 Catalog No: AG005Z9C MDL No:
Product Description
Catalog Number:
AG005Z9C
Chemical Name:
(1-((2-BENZOYLPHENOXY)METHYL)ETHYL)DIETHYLMETHYLAMMONIUM IODIDE
CAS Number:
7347-85-5
Molecular Formula:
C21H28INO2
Molecular Weight:
453.3570
IUPAC Name:
1-(2-benzoylphenoxy)propan-2-yl-diethyl-methylazanium;iodide
InChI:
InChI=1S/C21H28NO2.HI/c1-5-22(4,6-2)17(3)16-24-20-15-11-10-14-19(20)21(23)18-12-8-7-9-13-18;/h7-15,17H,5-6,16H2,1-4H3;1H/q+1;/p-1
InChI Key:
QKZPNMYSNWFVJF-UHFFFAOYSA-M
SMILES:
CC[N+](C(COc1ccccc1C(=O)c1ccccc1)C)(CC)C.[I-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.364g/mol
Monoisotopic Mass:
453.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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