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Home > Bromides > 1401304-41-3
1401304-41-3 | 1-Piperidinecarboxylic acid, 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester
CAS No: 1401304-41-3 Catalog No: AG001C1S MDL No:MFCD22690820
Product Description
Catalog Number:
AG001C1S
Chemical Name:
1-Piperidinecarboxylic acid, 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester
CAS Number:
1401304-41-3
Molecular Formula:
C14H22BrN3O2
Molecular Weight:
344.2474
MDL Number:
MFCD22690820
IUPAC Name:
tert-butyl 3-(4-bromo-2-methylpyrazol-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H22BrN3O2/c1-14(2,3)20-13(19)18-7-5-6-10(9-18)12-11(15)8-16-17(12)4/h8,10H,5-7,9H2,1-4H3
InChI Key:
GYNTUHVZUOTCGM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1c(Br)cnn1C)OC(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.253g/mol
Monoisotopic Mass:
343.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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