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Home > Bromides > 1449117-65-0
1449117-65-0 | 1-Piperidinecarboxylic acid, 4-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1449117-65-0 Catalog No: AG001KCL MDL No:
Product Description
Catalog Number:
AG001KCL
Chemical Name:
1-Piperidinecarboxylic acid, 4-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1449117-65-0
Molecular Formula:
C14H19BrF3N3O2
Molecular Weight:
398.2188
IUPAC Name:
tert-butyl 4-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C14H19BrF3N3O2/c1-13(2,3)23-12(22)20-6-4-9(5-7-20)21-11(14(16,17)18)10(15)8-19-21/h8-9H,4-7H2,1-3H3
InChI Key:
FULWUZYGUVXZLL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1ncc(c1C(F)(F)F)Br)OC(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.224g/mol
Monoisotopic Mass:
397.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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