6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
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6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
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CAS No:
205754-50-3
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Formula:
C14H9ClF3NO3
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Chemical Name:
6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
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Synonyms:
rac 7-Hydroxy Efavirenz;205754-50-3;6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one;CHEMBL346356;BDBM50097575;AKOS030255803;2H-3,1-Benzoxazin-2-one,6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-;FT-0669575;J-013430;2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-;2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-;6-Chloro-4-cyclopropylethynyl-7-hydroxy-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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CAS No:
6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Basic Attributes
331.67 g/mol
331.0223053 g/mol
Computed Properties
Molecular Weight:331.67
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:331.0223053
Monoisotopic Mass:331.0223053
Topological Polar Surface Area:58.6
Heavy Atom Count:22
Complexity:551
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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