Home Halogens tert-butyl 3-bromo-2-methoxy-5-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 3-bromo-2-methoxy-5-(trifluoromethyl)piperidine-1-carboxylate

CAS No.:
2138012-68-5
Catalog Number:
AG01ELZ8
Molecular Formula:
C12H19BrF3NO3
Molecular Weight:
362.1834
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Product Description
Catalog Number:
AG01ELZ8
Chemical Name:
tert-butyl 3-bromo-2-methoxy-5-(trifluoromethyl)piperidine-1-carboxylate
CAS Number:
2138012-68-5
Molecular Formula:
C12H19BrF3NO3
Molecular Weight:
362.1834
MDL Number:
MFCD31559449
IUPAC Name:
tert-butyl 3-bromo-2-methoxy-5-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H19BrF3NO3/c1-11(2,3)20-10(18)17-6-7(12(14,15)16)5-8(13)9(17)19-4/h7-9H,5-6H2,1-4H3
InChI Key:
QXHURTKHYUUBFJ-UHFFFAOYSA-N
SMILES:
COC1C(Br)CC(CN1C(=O)OC(C)(C)C)C(F)(F)F
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.05g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.187g/mol
Monoisotopic Mass:
361.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties