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20800-04-8 | 1-Propanone, 1-[5-bromo-2-[2-(4-morpholinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS No: 20800-04-8 Catalog No: AG002JFI MDL No:
Product Description
Catalog Number:
AG002JFI
Chemical Name:
1-Propanone, 1-[5-bromo-2-[2-(4-morpholinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS Number:
20800-04-8
Molecular Formula:
C15H21BrClNO3
Molecular Weight:
378.6891
IUPAC Name:
1-[5-bromo-2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one;hydrochloride
InChI:
InChI=1S/C15H20BrNO3.ClH/c1-2-14(18)13-11-12(16)3-4-15(13)20-10-7-17-5-8-19-9-6-17;/h3-4,11H,2,5-10H2,1H3;1H
InChI Key:
VQDDKYRJJHGPRQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(Br)ccc1OCCN1CCOCC1.Cl
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.039g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.691g/mol
Monoisotopic Mass:
377.039g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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