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1443342-48-0 | methyl 1-[(2-bromo-5-fluorophenyl)methyl]piperidine-4-carboxylate
CAS No: 1443342-48-0 Catalog No: AG0118YA MDL No:MFCD15505652
Product Description
Catalog Number:
AG0118YA
Chemical Name:
methyl 1-[(2-bromo-5-fluorophenyl)methyl]piperidine-4-carboxylate
CAS Number:
1443342-48-0
Molecular Formula:
C14H17BrFNO2
Molecular Weight:
330.1927
MDL Number:
MFCD15505652
IUPAC Name:
methyl 1-[(2-bromo-5-fluorophenyl)methyl]piperidine-4-carboxylate
InChI:
InChI=1S/C14H17BrFNO2/c1-19-14(18)10-4-6-17(7-5-10)9-11-8-12(16)2-3-13(11)15/h2-3,8,10H,4-7,9H2,1H3
InChI Key:
PKASIVWEFHQWGK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)Cc1cc(F)ccc1Br
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.197g/mol
Monoisotopic Mass:
329.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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