Home Halogens 4-bromo-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

4-bromo-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

CAS No.:
1146955-04-5
Catalog Number:
AG01A41T
Molecular Formula:
C11H18BrNO4
Molecular Weight:
308.1689
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Product Description
Catalog Number:
AG01A41T
Chemical Name:
4-bromo-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid
CAS Number:
1146955-04-5
Molecular Formula:
C11H18BrNO4
Molecular Weight:
308.1689
MDL Number:
MFCD15071785
IUPAC Name:
4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C11H18BrNO4/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)
InChI Key:
VNILBVOEUDJGJN-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(Br)C(=O)O)OC(C)(C)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.042g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.172g/mol
Monoisotopic Mass:
307.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties