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180847-24-9 | 1-Piperidinecarboxylic acid, 4-[(3-bromophenoxy)methyl]-, 1,1-dimethylethyl ester
CAS No: 180847-24-9 Catalog No: AG0022DT MDL No:MFCD18783168
Product Description
Catalog Number:
AG0022DT
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(3-bromophenoxy)methyl]-, 1,1-dimethylethyl ester
CAS Number:
180847-24-9
Molecular Formula:
C17H24BrNO3
Molecular Weight:
370.2814
MDL Number:
MFCD18783168
IUPAC Name:
tert-butyl 4-[(3-bromophenoxy)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H24BrNO3/c1-17(2,3)22-16(20)19-9-7-13(8-10-19)12-21-15-6-4-5-14(18)11-15/h4-6,11,13H,7-10,12H2,1-3H3
InChI Key:
LTWCHLAMFXUHOL-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.287g/mol
Monoisotopic Mass:
369.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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