(4S)-6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one


Chemical Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
CAS Number: 205754-50-3
Product Number: AG002ABV(AGN-PC-05XRUC)
Synonyms:
MDL No:
Molecular Formula: C14H9ClF3NO3
Molecular Weight: 331.6744

Identification/Properties


Computed Properties
Molecular Weight:
331.675g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
331.022g/mol
Monoisotopic Mass:
331.022g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
551
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

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback