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Home > Bromides > 1823511-42-7
1823511-42-7 | 4-Piperidinecarboxylic acid, 1-(5-bromo-3-pyridinyl)-
CAS No: 1823511-42-7 Catalog No: AG0023PA MDL No:
Product Description
Catalog Number:
AG0023PA
Chemical Name:
4-Piperidinecarboxylic acid, 1-(5-bromo-3-pyridinyl)-
CAS Number:
1823511-42-7
Molecular Formula:
C11H13BrN2O2
Molecular Weight:
285.1371
IUPAC Name:
1-(5-bromopyridin-3-yl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C11H13BrN2O2/c12-9-5-10(7-13-6-9)14-3-1-8(2-4-14)11(15)16/h5-8H,1-4H2,(H,15,16)
InChI Key:
WVXOSNNJQNRPFM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1cncc(c1)Br
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.141g/mol
Monoisotopic Mass:
284.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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