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Home > Bromides > 1002359-91-2
1002359-91-2 | 1-Piperidinecarboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1002359-91-2 Catalog No: AG0001BA MDL No:MFCD11111932
Product Description
Catalog Number:
AG0001BA
Chemical Name:
1-Piperidinecarboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1002359-91-2
Molecular Formula:
C11H20BrNO2
Molecular Weight:
278.1860
MDL Number:
MFCD11111932
IUPAC Name:
tert-butyl (3R)-3-(bromomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3/t9-/m0/s1
InChI Key:
MGGZYACWICDRRD-VIFPVBQESA-N
SMILES:
BrC[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.19g/mol
Monoisotopic Mass:
277.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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