Home Other Building Blocks 3-[3-(trifluoromethyl)phenyl]azetidine, trifluoroacetic acid

3-[3-(trifluoromethyl)phenyl]azetidine, trifluoroacetic acid

CAS No.:
1443237-00-0
Catalog Number:
AG01C1H6
Molecular Formula:
C12H11F6NO2
Molecular Weight:
315.2117
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Product Description
Catalog Number:
AG01C1H6
Chemical Name:
3-[3-(trifluoromethyl)phenyl]azetidine, trifluoroacetic acid
CAS Number:
1443237-00-0
Molecular Formula:
C12H11F6NO2
Molecular Weight:
315.2117
MDL Number:
MFCD29047300
IUPAC Name:
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenyl]azetidine
InChI:
InChI=1S/C10H10F3N.C2HF3O2/c11-10(12,13)9-3-1-2-7(4-9)8-5-14-6-8;3-2(4,5)1(6)7/h1-4,8,14H,5-6H2;(H,6,7)
InChI Key:
VKTFXXXTXAQTTR-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)C1CNC1)(F)F.OC(=O)C(F)(F)F
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.069g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
315.215g/mol
Monoisotopic Mass:
315.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties