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126855-74-1 | Benzenamine, 4-methoxy-N-[1-(trifluoromethyl)propylidene]-
CAS No: 126855-74-1 Catalog No: AG000TDI MDL No:
Product Description
Catalog Number:
AG000TDI
Chemical Name:
Benzenamine, 4-methoxy-N-[1-(trifluoromethyl)propylidene]-
CAS Number:
126855-74-1
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
IUPAC Name:
1,1,1-trifluoro-N-(4-methoxyphenyl)butan-2-imine
InChI:
InChI=1S/C11H12F3NO/c1-3-10(11(12,13)14)15-8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3
InChI Key:
CHEIMUVFGLXGGB-UHFFFAOYSA-N
SMILES:
CCC(=Nc1ccc(cc1)OC)C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.218g/mol
Monoisotopic Mass:
231.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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