Name: Name:2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-
Brand: Angene
SKU: AG002ABW
Rating: 90 (10 reviews)

2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-

CAS No.:

205754-32-1

Catalog Number:

AG002ABW

Molecular Formula:

C14H9ClF3NO3

Molecular Weight:

331.6744

Catalog Number:

AG002ABW

Chemical Name:

2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-

CAS Number:

205754-32-1

Molecular Formula:

C14H9ClF3NO3

Molecular Weight:

331.6744

MDL Number:

MFCD09840726

IUPAC Name:

6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

InChI:

InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)

InChI Key:

OOVOMPCQLMFEDT-UHFFFAOYSA-N

SMILES:

O=C1Nc2c(O)cc(cc2C(O1)(C#CC1CC1)C(F)(F)F)Cl

Complexity:

551

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.675g/mol

Monoisotopic Mass:

331.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7