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Home > Bromides > 1613193-36-4
1613193-36-4 | 4-Piperidinecarboxylic acid, 1-(3-bromo-5-fluoro-4-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1613193-36-4 Catalog No: AG001SC5 MDL No:MFCD29053446
Product Description
Catalog Number:
AG001SC5
Chemical Name:
4-Piperidinecarboxylic acid, 1-(3-bromo-5-fluoro-4-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1613193-36-4
Molecular Formula:
C15H20BrFN2O2
Molecular Weight:
359.2339
MDL Number:
MFCD29053446
IUPAC Name:
tert-butyl 1-(3-bromo-5-fluoropyridin-4-yl)piperidine-4-carboxylate
InChI:
InChI=1S/C15H20BrFN2O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7H2,1-3H3
InChI Key:
UFWQUZCOKMFROO-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(CC1)c1c(F)cncc1Br)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.239g/mol
Monoisotopic Mass:
358.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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