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823188-59-6 | Benzenemethanamine, N-(1-methylethyl)-2-(trifluoromethoxy)-
CAS No: 823188-59-6 Catalog No: AG005FE4 MDL No:
Product Description
Catalog Number:
AG005FE4
Chemical Name:
Benzenemethanamine, N-(1-methylethyl)-2-(trifluoromethoxy)-
CAS Number:
823188-59-6
Molecular Formula:
C11H14F3NO
Molecular Weight:
233.2302
IUPAC Name:
N-[[2-(trifluoromethoxy)phenyl]methyl]propan-2-amine
InChI:
InChI=1S/C11H14F3NO/c1-8(2)15-7-9-5-3-4-6-10(9)16-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChI Key:
IIYCQPPYUYMSCH-UHFFFAOYSA-N
SMILES:
CC(NCc1ccccc1OC(F)(F)F)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.234g/mol
Monoisotopic Mass:
233.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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