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20808-95-1 | 1-Propanone, 1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-, hydrochloride (1:1)
CAS No: 20808-95-1 Catalog No: AG002JH1 MDL No:
Product Description
Catalog Number:
AG002JH1
Chemical Name:
1-Propanone, 1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-, hydrochloride (1:1)
CAS Number:
20808-95-1
Molecular Formula:
C13H19BrClNO2
Molecular Weight:
336.6525
IUPAC Name:
1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]propan-1-one;hydrochloride
InChI:
InChI=1S/C13H18BrNO2.ClH/c1-4-12(16)11-9-10(14)5-6-13(11)17-8-7-15(2)3;/h5-6,9H,4,7-8H2,1-3H3;1H
InChI Key:
CBVNASUVQURETK-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(Br)ccc1OCCN(C)C.Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.654g/mol
Monoisotopic Mass:
335.029g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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