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Home > Bromides > 1217653-41-2
1217653-41-2 | (2s,5r)-5-(4-bromobenzyl)piperidine-2-carboxylic acid
CAS No: 1217653-41-2 Catalog No: AG01ER2H MDL No:
Product Description
Catalog Number:
AG01ER2H
Chemical Name:
(2s,5r)-5-(4-bromobenzyl)piperidine-2-carboxylic acid
CAS Number:
1217653-41-2
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
IUPAC Name:
(2S,5R)-5-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
InChI:
InChI=1S/C13H16BrNO2/c14-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)15-8-10/h1-2,4-5,10,12,15H,3,6-8H2,(H,16,17)/t10-,12+/m1/s1
InChI Key:
MTQAUDJJLRLGLW-PWSUYJOCSA-N
SMILES:
OC(=O)[C@@H]1CC[C@@H](CN1)Cc1ccc(cc1)Br
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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