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Home > Fluorides > 139592-91-9
139592-91-9 | Pyrrolidine, 1-[(4-fluorophenyl)methyl]-
CAS No: 139592-91-9 Catalog No: AG001BCB MDL No:
Product Description
Catalog Number:
AG001BCB
Chemical Name:
Pyrrolidine, 1-[(4-fluorophenyl)methyl]-
CAS Number:
139592-91-9
Molecular Formula:
C11H14FN
Molecular Weight:
179.2340
IUPAC Name:
1-[(4-fluorophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14FN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChI Key:
HRRFDYCXYAHGQN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CN1CCCC1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.238g/mol
Monoisotopic Mass:
179.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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