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86215-43-2 | 3-Azabicyclo[3.1.0]hexane, 1-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS No: 86215-43-2 Catalog No: AG004SQ9 MDL No:
Product Description
Catalog Number:
AG004SQ9
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS Number:
86215-43-2
Molecular Formula:
C12H11ClF3N
Molecular Weight:
261.6706
IUPAC Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H11ClF3N/c13-10-2-1-7(3-9(10)12(14,15)16)11-4-8(11)5-17-6-11/h1-3,8,17H,4-6H2
InChI Key:
WDFKHQBXXRJHEC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1C(F)(F)F)C12CNCC2C1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.672g/mol
Monoisotopic Mass:
261.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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