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1200131-18-5 | Piperidine, 1-[(4-bromo-2-fluorophenyl)methyl]-
CAS No: 1200131-18-5 Catalog No: AG000Q37 MDL No:MFCD14645209
Product Description
Catalog Number:
AG000Q37
Chemical Name:
Piperidine, 1-[(4-bromo-2-fluorophenyl)methyl]-
CAS Number:
1200131-18-5
Molecular Formula:
C12H15BrFN
Molecular Weight:
272.1566
MDL Number:
MFCD14645209
IUPAC Name:
1-[(4-bromo-2-fluorophenyl)methyl]piperidine
InChI:
InChI=1S/C12H15BrFN/c13-11-5-4-10(12(14)8-11)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChI Key:
VMTBRQBFFSSMLS-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)CN1CCCCC1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.161g/mol
Monoisotopic Mass:
271.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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