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20800-15-1 | 1-Propanone, 1-[5-bromo-2-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS No: 20800-15-1 Catalog No: AG002JFC MDL No:
Product Description
Catalog Number:
AG002JFC
Chemical Name:
1-Propanone, 1-[5-bromo-2-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS Number:
20800-15-1
Molecular Formula:
C16H23BrClNO2
Molecular Weight:
376.7163
IUPAC Name:
1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]propan-1-one;hydrochloride
InChI:
InChI=1S/C16H22BrNO2.ClH/c1-2-15(19)14-12-13(17)6-7-16(14)20-11-10-18-8-4-3-5-9-18;/h6-7,12H,2-5,8-11H2,1H3;1H
InChI Key:
TXLFFSJEWZRCMI-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(Br)ccc1OCCN1CCCCC1.Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.719g/mol
Monoisotopic Mass:
375.06g/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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