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Home > Bromides > 1228957-01-4
1228957-01-4 | 1-Piperidinecarboxylic acid, 4-(4-bromo-2-methoxyphenoxy)-, 1,1-dimethylethyl ester
CAS No: 1228957-01-4 Catalog No: AG000JQH MDL No:MFCD16618960
Product Description
Catalog Number:
AG000JQH
Chemical Name:
1-Piperidinecarboxylic acid, 4-(4-bromo-2-methoxyphenoxy)-, 1,1-dimethylethyl ester
CAS Number:
1228957-01-4
Molecular Formula:
C17H24BrNO4
Molecular Weight:
386.2808
MDL Number:
MFCD16618960
IUPAC Name:
tert-butyl 4-(4-bromo-2-methoxyphenoxy)piperidine-1-carboxylate
InChI:
InChI=1S/C17H24BrNO4/c1-17(2,3)23-16(20)19-9-7-13(8-10-19)22-14-6-5-12(18)11-15(14)21-4/h5-6,11,13H,7-10H2,1-4H3
InChI Key:
GWWSAEPVIJIXPB-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1OC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.286g/mol
Monoisotopic Mass:
385.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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