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Home > Bromides > 1257665-16-9
1257665-16-9 | 1-Piperidinecarboxylic acid, 4-[(3,5-dibromophenoxy)methyl]-, 1,1-dimethylethyl ester
CAS No: 1257665-16-9 Catalog No: AG000OO1 MDL No:MFCD18087722
Product Description
Catalog Number:
AG000OO1
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(3,5-dibromophenoxy)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1257665-16-9
Molecular Formula:
C17H23Br2NO3
Molecular Weight:
449.1774
MDL Number:
MFCD18087722
IUPAC Name:
tert-butyl 4-[(3,5-dibromophenoxy)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H23Br2NO3/c1-17(2,3)23-16(21)20-6-4-12(5-7-20)11-22-15-9-13(18)8-14(19)10-15/h8-10,12H,4-7,11H2,1-3H3
InChI Key:
KFYHCQLOMWOCOI-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)COc1cc(Br)cc(c1)Br)OC(C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.002g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.183g/mol
Monoisotopic Mass:
447.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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