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87696-96-6 | 1-Butanone, 4-(2-aminophenoxy)-1-phenyl-, hydrochloride
CAS No: 87696-96-6 Catalog No: AG004ND0 MDL No:
Product Description
Catalog Number:
AG004ND0
Chemical Name:
1-Butanone, 4-(2-aminophenoxy)-1-phenyl-, hydrochloride
CAS Number:
87696-96-6
Molecular Formula:
C16H18ClNO2
Molecular Weight:
291.7726
IUPAC Name:
4-(2-aminophenoxy)-1-phenylbutan-1-one;hydrochloride
InChI:
InChI=1S/C16H17NO2.ClH/c17-14-9-4-5-11-16(14)19-12-6-10-15(18)13-7-2-1-3-8-13;/h1-5,7-9,11H,6,10,12,17H2;1H
InChI Key:
GYNUBXXUOQPVRQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCCOc1ccccc1N.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.775g/mol
Monoisotopic Mass:
291.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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