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Home > Fluorides > 1261233-90-2
1261233-90-2 | 2-(3-Fluoro-benzyloxymethyl)-pyrrolidine hydrochloride
CAS No: 1261233-90-2 Catalog No: AG01F7XJ MDL No:
Product Description
Catalog Number:
AG01F7XJ
Chemical Name:
2-(3-Fluoro-benzyloxymethyl)-pyrrolidine hydrochloride
CAS Number:
1261233-90-2
Molecular Formula:
C12H17ClFNO
Molecular Weight:
245.7209
IUPAC Name:
2-[(3-fluorophenyl)methoxymethyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C12H16FNO.ClH/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12;/h1,3-4,7,12,14H,2,5-6,8-9H2;1H
InChI Key:
IUGXQJGMYRRILL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)COCC1CCCN1.Cl
Properties
Complexity:
189
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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