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86215-49-8 | 3-Azabicyclo[3.1.0]hexane, 1-[3-(trifluoromethyl)phenyl]-
CAS No: 86215-49-8 Catalog No: AG004SQ8 MDL No:
Product Description
Catalog Number:
AG004SQ8
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-[3-(trifluoromethyl)phenyl]-
CAS Number:
86215-49-8
Molecular Formula:
C12H12F3N
Molecular Weight:
227.2256
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-8(4-9)11-5-10(11)6-16-7-11/h1-4,10,16H,5-7H2
InChI Key:
QNUMSACSERBQDH-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)C12CNCC2C1)(F)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.23g/mol
Monoisotopic Mass:
227.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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