methyl 2,3-diamino-4-(trifluoromethyl)benzoate


Chemical Name: methyl 2,3-diamino-4-(trifluoromethyl)benzoate
CAS Number: 913299-81-7
Product Number: AG019ETQ(AG019ETQ)
Synonyms:
MDL No:
Molecular Formula: C9H9F3N2O2
Molecular Weight: 234.1752

Identification/Properties


Computed Properties
Molecular Weight:
234.178g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
234.062g/mol
Monoisotopic Mass:
234.062g/mol
Topological Polar Surface Area:
78.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
270
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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