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Home > Bromides > 1449117-77-4
1449117-77-4 | 1-Piperidinecarboxylic acid, 4-[4-bromo-5-(difluoromethyl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1449117-77-4 Catalog No: AG001KCH MDL No:MFCD23704682
Product Description
Catalog Number:
AG001KCH
Chemical Name:
1-Piperidinecarboxylic acid, 4-[4-bromo-5-(difluoromethyl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1449117-77-4
Molecular Formula:
C14H20BrF2N3O2
Molecular Weight:
380.2283
MDL Number:
MFCD23704682
IUPAC Name:
tert-butyl 4-[4-bromo-5-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C14H20BrF2N3O2/c1-14(2,3)22-13(21)19-6-4-9(5-7-19)20-11(12(16)17)10(15)8-18-20/h8-9,12H,4-7H2,1-3H3
InChI Key:
IAXIOAZCBLVRHI-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1ncc(c1C(F)F)Br)OC(C)(C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.234g/mol
Monoisotopic Mass:
379.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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