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158407-04-6 | 1-Piperidinecarboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester
CAS No: 158407-04-6 Catalog No: AG001Q62 MDL No:MFCD04115538
Product Description
Catalog Number:
AG001Q62
Chemical Name:
1-Piperidinecarboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester
CAS Number:
158407-04-6
Molecular Formula:
C11H20BrNO2
Molecular Weight:
278.1860
MDL Number:
MFCD04115538
IUPAC Name:
tert-butyl 4-(bromomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChI Key:
YGJXBTRLYHCWGD-UHFFFAOYSA-N
SMILES:
BrCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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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