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210564-54-8 | 1-Piperidinecarboxylic acid, 3-(2-bromoethyl)-, 1,1-dimethylethyl ester
CAS No: 210564-54-8 Catalog No: AG002KV8 MDL No:MFCD06410599
Product Description
Catalog Number:
AG002KV8
Chemical Name:
1-Piperidinecarboxylic acid, 3-(2-bromoethyl)-, 1,1-dimethylethyl ester
CAS Number:
210564-54-8
Molecular Formula:
C12H22BrNO2
Molecular Weight:
292.2126
MDL Number:
MFCD06410599
IUPAC Name:
tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H22BrNO2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9H2,1-3H3
InChI Key:
SRWFLHHXMSGSSU-UHFFFAOYSA-N
SMILES:
BrCCC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.217g/mol
Monoisotopic Mass:
291.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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