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1260805-67-1 | 1-Piperidinecarboxylic acid, 3-[(3-bromophenyl)methyl]-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1260805-67-1 Catalog No: AG000RC2 MDL No:
Product Description
Catalog Number:
AG000RC2
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(3-bromophenyl)methyl]-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1260805-67-1
Molecular Formula:
C17H22BrNO3
Molecular Weight:
368.2655
IUPAC Name:
tert-butyl 3-[(3-bromophenyl)methyl]-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C17H22BrNO3/c1-17(2,3)22-16(21)19-8-7-15(20)13(11-19)9-12-5-4-6-14(18)10-12/h4-6,10,13H,7-9,11H2,1-3H3
InChI Key:
UTADSQVKICTQEX-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1Cc1cccc(c1)Br)C(=O)OC(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.271g/mol
Monoisotopic Mass:
367.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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