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336182-21-9 | 4-[(4-bromophenyl)methyl]-1-Piperidinecarboxylic acid 1,1-dimethylethyl ester
CAS No: 336182-21-9 Catalog No: AG01F47S MDL No:
Product Description
Catalog Number:
AG01F47S
Chemical Name:
4-[(4-bromophenyl)methyl]-1-Piperidinecarboxylic acid 1,1-dimethylethyl ester
CAS Number:
336182-21-9
Molecular Formula:
C17H24BrNO2
Molecular Weight:
354.2820
IUPAC Name:
tert-butyl 4-[(4-bromophenyl)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H24BrNO2/c1-17(2,3)21-16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12H2,1-3H3
InChI Key:
SVYWEEHYJRQGAV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Cc1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.288g/mol
Monoisotopic Mass:
353.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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