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1261230-89-0 | 2-(2-Fluoro-benzyloxymethyl)-pyrrolidine hydrochloride
CAS No: 1261230-89-0 Catalog No: AG01F7XE MDL No:
Product Description
Catalog Number:
AG01F7XE
Chemical Name:
2-(2-Fluoro-benzyloxymethyl)-pyrrolidine hydrochloride
CAS Number:
1261230-89-0
Molecular Formula:
C12H17ClFNO
Molecular Weight:
245.7209
IUPAC Name:
2-[(2-fluorophenyl)methoxymethyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C12H16FNO.ClH/c13-12-6-2-1-4-10(12)8-15-9-11-5-3-7-14-11;/h1-2,4,6,11,14H,3,5,7-9H2;1H
InChI Key:
NNKAVHYZWOJECH-UHFFFAOYSA-N
SMILES:
Fc1ccccc1COCC1CCCN1.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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