Name: Name:7,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-one
Brand: Angene
SKU: AG01A09T
Rating: 90 (10 reviews)

7,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-one

CAS No.:

127557-05-5

Catalog Number:

AG01A09T

Molecular Formula:

C10H8F2O2

Molecular Weight:

198.1661

Catalog Number:

AG01A09T

Chemical Name:

7,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-one

CAS Number:

127557-05-5

Molecular Formula:

C10H8F2O2

Molecular Weight:

198.1661

MDL Number:

MFCD11207533

IUPAC Name:

7,9-difluoro-3,4-dihydro-2H-1-benzoxepin-5-one

InChI:

InChI=1S/C10H8F2O2/c11-6-4-7-9(13)2-1-3-14-10(7)8(12)5-6/h4-5H,1-3H2

InChI Key:

AINGTXOPIXMSHI-UHFFFAOYSA-N

SMILES:

Fc1cc(F)c2c(c1)C(=O)CCCO2

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.169g/mol

Monoisotopic Mass:

198.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9