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123207-61-4 | Benzenamine, 3-(2,2,2-trifluoroethoxy)-
CAS No: 123207-61-4 Catalog No: AG000K5Z MDL No:MFCD07432790
Product Description
Catalog Number:
AG000K5Z
Chemical Name:
Benzenamine, 3-(2,2,2-trifluoroethoxy)-
CAS Number:
123207-61-4
Molecular Formula:
C8H8F3NO
Molecular Weight:
191.1504
MDL Number:
MFCD07432790
IUPAC Name:
3-(2,2,2-trifluoroethoxy)aniline
InChI:
InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h1-4H,5,12H2
InChI Key:
IJIAMVTVXHRYIT-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)OCC(F)(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.153g/mol
Monoisotopic Mass:
191.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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