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115851-99-5 | Ethanone, 2-amino-1-[3-(phenylmethoxy)phenyl]-, hydrochloride (1:1)
CAS No: 115851-99-5 Catalog No: AG000GYY MDL No:
Product Description
Catalog Number:
AG000GYY
Chemical Name:
Ethanone, 2-amino-1-[3-(phenylmethoxy)phenyl]-, hydrochloride (1:1)
CAS Number:
115851-99-5
Molecular Formula:
C15H16ClNO2
Molecular Weight:
277.7460
IUPAC Name:
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
InChI:
InChI=1S/C15H15NO2.ClH/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12;/h1-9H,10-11,16H2;1H
InChI Key:
MFDXUFISBJAZCB-UHFFFAOYSA-N
SMILES:
NCC(=O)c1cccc(c1)OCc1ccccc1.Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.748g/mol
Monoisotopic Mass:
277.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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