Name: Name:2-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-one
Brand: Angene
SKU: AG01B4WI
Rating: 90 (10 reviews)

2-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-one

CAS No.:

1422496-44-3

Catalog Number:

AG01B4WI

Molecular Formula:

C12H10F3NO2

Molecular Weight:

257.2085

Catalog Number:

AG01B4WI

Chemical Name:

2-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-one

CAS Number:

1422496-44-3

Molecular Formula:

C12H10F3NO2

Molecular Weight:

257.2085

MDL Number:

MFCD30180982

IUPAC Name:

2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-2-benzazepin-5-one

InChI:

InChI=1S/C12H10F3NO2/c13-12(14,15)11(18)16-6-5-10(17)9-4-2-1-3-8(9)7-16/h1-4H,5-7H2

InChI Key:

ABDLUMQTSCWUQF-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)N1CCC(=O)c2c(C1)cccc2

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.212g/mol

Monoisotopic Mass:

257.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8