Name: Name:2-acetyl-8-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-one
Brand: Angene
SKU: AG01ABUY
Rating: 90 (10 reviews)

2-acetyl-8-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-one

CAS No.:

1592375-54-6

Catalog Number:

AG01ABUY

Molecular Formula:

C12H12FNO2

Molecular Weight:

221.2276

Catalog Number:

AG01ABUY

Chemical Name:

2-acetyl-8-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-one

CAS Number:

1592375-54-6

Molecular Formula:

C12H12FNO2

Molecular Weight:

221.2276

MDL Number:

MFCD26407750

IUPAC Name:

2-acetyl-8-fluoro-3,4-dihydro-1H-2-benzazepin-5-one

InChI:

InChI=1S/C12H12FNO2/c1-8(15)14-5-4-12(16)11-3-2-10(13)6-9(11)7-14/h2-3,6H,4-5,7H2,1H3

InChI Key:

VVEPGHYKBYIPBR-UHFFFAOYSA-N

SMILES:

Fc1ccc2c(c1)CN(CCC2=O)C(=O)C

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.231g/mol

Monoisotopic Mass:

221.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8