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1219813-78-1 | 1-Piperidinecarboxylic acid, 3-(2-bromoacetyl)-, 1,1-dimethylethyl ester
CAS No: 1219813-78-1 Catalog No: AG0016HR MDL No:MFCD18250319
Product Description
Catalog Number:
AG0016HR
Chemical Name:
1-Piperidinecarboxylic acid, 3-(2-bromoacetyl)-, 1,1-dimethylethyl ester
CAS Number:
1219813-78-1
Molecular Formula:
C12H20BrNO3
Molecular Weight:
306.1961
MDL Number:
MFCD18250319
IUPAC Name:
tert-butyl 3-(2-bromoacetyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H20BrNO3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9H,4-8H2,1-3H3
InChI Key:
FTDGLGFKVKVHTE-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.2g/mol
Monoisotopic Mass:
305.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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