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1107620-26-7 | tert-butyl 4-[bromo(fluoro)methylidene]piperidine-1-carboxylate
CAS No: 1107620-26-7 Catalog No: AG01EM72 MDL No:MFCD31431451
Product Description
Catalog Number:
AG01EM72
Chemical Name:
tert-butyl 4-[bromo(fluoro)methylidene]piperidine-1-carboxylate
CAS Number:
1107620-26-7
Molecular Formula:
C11H17BrFNO2
Molecular Weight:
294.1606
MDL Number:
MFCD31431451
IUPAC Name:
tert-butyl 4-[bromo(fluoro)methylidene]piperidine-1-carboxylate
InChI:
InChI=1S/C11H17BrFNO2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13/h4-7H2,1-3H3
InChI Key:
IHKPJXGJMVFODG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=C(Br)F)CC1)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.164g/mol
Monoisotopic Mass:
293.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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