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252253-57-9,MFCD30741684
Catalog No.:AA00C36G

252253-57-9 | (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine

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contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA00C36G
Chemical Name:
(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine
CAS Number:
252253-57-9
Molecular Formula:
C14H11ClF3NO
Molecular Weight:
301.6914
MDL Number:
MFCD30741684
SMILES:
FC([C@]1(OCNc2c1cc(Cl)cc2)C#CC1CC1)(F)F
Properties
Computed Properties
 
Complexity:
450  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.4  

Literature
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SDS
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Tags:252253-57-9 Molecular Formula|252253-57-9 MDL|252253-57-9 SMILES|252253-57-9 (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine
Catalog No.: AA00C36G
252253-57-9,MFCD30741684
252253-57-9 | (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00C36G
Chemical Name: (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine
CAS Number: 252253-57-9
Molecular Formula: C14H11ClF3NO
Molecular Weight: 301.6914
MDL Number: MFCD30741684
SMILES: FC([C@]1(OCNc2c1cc(Cl)cc2)C#CC1CC1)(F)F
Properties
Complexity: 450  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.4  
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