Name: Name:7-bromo-8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
Brand: Angene
SKU: AG01DVOI
Rating: 90 (10 reviews)

7-bromo-8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

CAS No.:

1564451-53-1

Catalog Number:

AG01DVOI

Molecular Formula:

C9H7BrFNO2

Molecular Weight:

260.0598

Catalog Number:

AG01DVOI

Chemical Name:

7-bromo-8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

CAS Number:

1564451-53-1

Molecular Formula:

C9H7BrFNO2

Molecular Weight:

260.0598

MDL Number:

MFCD26900587

IUPAC Name:

7-bromo-8-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one

InChI:

InChI=1S/C9H7BrFNO2/c10-6-3-5-8(4-7(6)11)14-2-1-12-9(5)13/h3-4H,1-2H2,(H,12,13)

InChI Key:

FDLCCMFQVJTURC-UHFFFAOYSA-N

SMILES:

O=C1NCCOc2c1cc(Br)c(c2)F

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.062g/mol

Monoisotopic Mass:

258.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7