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Home > Fluorides > 1261231-56-4
1261231-56-4 | 2-(4-Fluoro-benzyloxymethyl)-pyrrolidine hydrochloride
CAS No: 1261231-56-4 Catalog No: AG01F7XF MDL No:
Product Description
Catalog Number:
AG01F7XF
Chemical Name:
2-(4-Fluoro-benzyloxymethyl)-pyrrolidine hydrochloride
CAS Number:
1261231-56-4
Molecular Formula:
C12H17ClFNO
Molecular Weight:
245.7209
IUPAC Name:
2-[(4-fluorophenyl)methoxymethyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C12H16FNO.ClH/c13-11-5-3-10(4-6-11)8-15-9-12-2-1-7-14-12;/h3-6,12,14H,1-2,7-9H2;1H
InChI Key:
OYRSUSNWNOFJAB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COCC1CCCN1.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.722g/mol
Monoisotopic Mass:
245.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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