(1S)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol


Chemical Name: (1S)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
CAS Number: 56341-08-3
Product Number: AG00EBEG(AGN-PC-00BEY5)
Synonyms:
MDL No: MFCD00867035
Molecular Formula: C13H18ClF3N2O
Molecular Weight: 310.7430

Identification/Properties


Computed Properties
Molecular Weight:
310.745g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
310.106g/mol
Monoisotopic Mass:
310.106g/mol
Topological Polar Surface Area:
58.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
320
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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