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163209-96-9 | 1-Piperidinecarboxylic acid, 4-(4-bromophenyl)-4-hydroxy-, 1,1-dimethylethyl ester
CAS No: 163209-96-9 Catalog No: AG001TVQ MDL No:
Product Description
Catalog Number:
AG001TVQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-(4-bromophenyl)-4-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
163209-96-9
Molecular Formula:
C16H22BrNO3
Molecular Weight:
356.2548
IUPAC Name:
tert-butyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C16H22BrNO3/c1-15(2,3)21-14(19)18-10-8-16(20,9-11-18)12-4-6-13(17)7-5-12/h4-7,20H,8-11H2,1-3H3
InChI Key:
ZXVYIHCSSJUVBB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(O)c1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.26g/mol
Monoisotopic Mass:
355.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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