Home Halogens 3-(4-chlorophenyl)azetidine, trifluoroacetic acid

3-(4-chlorophenyl)azetidine, trifluoroacetic acid

CAS No.:
1443238-27-4
Catalog Number:
AG01C1F1
Molecular Formula:
C11H11ClF3NO2
Molecular Weight:
281.6587
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Product Description
Catalog Number:
AG01C1F1
Chemical Name:
3-(4-chlorophenyl)azetidine, trifluoroacetic acid
CAS Number:
1443238-27-4
Molecular Formula:
C11H11ClF3NO2
Molecular Weight:
281.6587
MDL Number:
MFCD29047272
IUPAC Name:
3-(4-chlorophenyl)azetidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H10ClN.C2HF3O2/c10-9-3-1-7(2-4-9)8-5-11-6-8;3-2(4,5)1(6)7/h1-4,8,11H,5-6H2;(H,6,7)
InChI Key:
AUUTZDCVCOSCJX-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Clc1ccc(cc1)C1CNC1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.043g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.659g/mol
Monoisotopic Mass:
281.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties