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1020329-80-9 | 1-Piperidinecarboxylic acid, 4-(bromomethylene)-, 1,1-dimethylethyl ester
CAS No: 1020329-80-9 Catalog No: AG0006EH MDL No:MFCD01632525
Product Description
Catalog Number:
AG0006EH
Chemical Name:
1-Piperidinecarboxylic acid, 4-(bromomethylene)-, 1,1-dimethylethyl ester
CAS Number:
1020329-80-9
Molecular Formula:
C11H18BrNO2
Molecular Weight:
276.1701
MDL Number:
MFCD01632525
IUPAC Name:
tert-butyl 4-(bromomethylidene)piperidine-1-carboxylate
InChI:
InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h8H,4-7H2,1-3H3
InChI Key:
IYVCMYUDZHFNJM-UHFFFAOYSA-N
SMILES:
BrC=C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.174g/mol
Monoisotopic Mass:
275.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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