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188869-05-8 | 1-Piperidinecarboxylic acid, 3-bromo-4-oxo-, 1,1-dimethylethyl ester
CAS No: 188869-05-8 Catalog No: AG002HFB MDL No:MFCD06738530
Product Description
Catalog Number:
AG002HFB
Chemical Name:
1-Piperidinecarboxylic acid, 3-bromo-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
188869-05-8
Molecular Formula:
C10H16BrNO3
Molecular Weight:
278.1429
MDL Number:
MFCD06738530
IUPAC Name:
tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C10H16BrNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3
InChI Key:
RGWGRRBHQUREDE-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1Br)C(=O)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.146g/mol
Monoisotopic Mass:
277.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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