2H-3,1-Benzoxazin-2-one,6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4R)-


Chemical Name: 2H-3,1-Benzoxazin-2-one,6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4R)-
CAS Number: 154801-74-8
Product Number: AG00AD6I(AGN-PC-0Q6SRK)
Synonyms:
MDL No:
Molecular Formula: C14H9ClF3NO2
Molecular Weight: 315.6749696

Identification/Properties


Computed Properties
Molecular Weight:
315.676g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
315.027g/mol
Monoisotopic Mass:
315.027g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
519
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
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


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