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Home > Fluorides > 1189900-43-3
1189900-43-3 | 2-(3-Trifluoromethoxy-phenyl)-pyrrolidine hydrochloride
CAS No: 1189900-43-3 Catalog No: AG01F2S7 MDL No:
Product Description
Catalog Number:
AG01F2S7
Chemical Name:
2-(3-Trifluoromethoxy-phenyl)-pyrrolidine hydrochloride
CAS Number:
1189900-43-3
Molecular Formula:
C11H13ClF3NO
Molecular Weight:
267.6752
IUPAC Name:
2-[3-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-4-1-3-8(7-9)10-5-2-6-15-10;/h1,3-4,7,10,15H,2,5-6H2;1H
InChI Key:
UDJYFASGDHPCQC-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)C1CCCN1)(F)F.Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.676g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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