Name: Name:6-bromo-8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Brand: Angene
SKU: AG01C5G6
Rating: 90 (10 reviews)

6-bromo-8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS No.:

1909311-73-4

Catalog Number:

AG01C5G6

Molecular Formula:

C9H5BrF3NO2

Molecular Weight:

296.0407

Catalog Number:

AG01C5G6

Chemical Name:

6-bromo-8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS Number:

1909311-73-4

Molecular Formula:

C9H5BrF3NO2

Molecular Weight:

296.0407

MDL Number:

MFCD29907075

IUPAC Name:

6-bromo-8-(trifluoromethyl)-4H-1,4-benzoxazin-3-one

InChI:

InChI=1S/C9H5BrF3NO2/c10-4-1-5(9(11,12)13)8-6(2-4)14-7(15)3-16-8/h1-2H,3H2,(H,14,15)

InChI Key:

MIOKPGIGHPAXBJ-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1)cc(cc2C(F)(F)F)Br

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.043g/mol

Monoisotopic Mass:

294.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4