Name: Name:8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Brand: Angene
SKU: AG01C5G4
Rating: 90 (10 reviews)

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

CAS No.:

1187984-10-6

Catalog Number:

AG01C5G4

Molecular Formula:

C9H6F3NO2

Molecular Weight:

217.1446

Catalog Number:

AG01C5G4

Chemical Name:

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

CAS Number:

1187984-10-6

Molecular Formula:

C9H6F3NO2

Molecular Weight:

217.1446

MDL Number:

MFCD12761555

IUPAC Name:

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

InChI:

InChI=1S/C9H6F3NO2/c10-9(11,12)5-2-1-3-6-8(5)15-4-7(14)13-6/h1-3H,4H2,(H,13,14)

InChI Key:

MZAVJMWMCIMGNZ-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1)cccc2C(F)(F)F

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.147g/mol

Monoisotopic Mass:

217.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8