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203664-61-3 | 1-Piperidinecarboxylic acid, 4-(2,2-dibromoethenyl)-, 1,1-dimethylethyl ester
CAS No: 203664-61-3 Catalog No: AG00292O MDL No:MFCD20528891
Product Description
Catalog Number:
AG00292O
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2,2-dibromoethenyl)-, 1,1-dimethylethyl ester
CAS Number:
203664-61-3
Molecular Formula:
C12H19Br2NO2
Molecular Weight:
369.0928
MDL Number:
MFCD20528891
IUPAC Name:
tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H19Br2NO2/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)8-10(13)14/h8-9H,4-7H2,1-3H3
InChI Key:
MBNHUCDXSFFRLG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)C=C(Br)Br)OC(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.097g/mol
Monoisotopic Mass:
366.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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