Name: Name:(5S)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Brand: Angene
SKU: AG01BGRA
Rating: 90 (10 reviews)

(5S)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

CAS No.:

1568193-23-6

Catalog Number:

AG01BGRA

Molecular Formula:

C10H11FO2

Molecular Weight:

182.1915

Catalog Number:

AG01BGRA

Chemical Name:

(5S)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

CAS Number:

1568193-23-6

Molecular Formula:

C10H11FO2

Molecular Weight:

182.1915

MDL Number:

MFCD21295160

IUPAC Name:

(5S)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

InChI:

InChI=1S/C10H11FO2/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4,9,12H,2,5-6H2/t9-/m0/s1

InChI Key:

QSNJRSCASWPUDK-VIFPVBQESA-N

SMILES:

O[C@H]1CCCOc2c1cccc2F

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.194g/mol

Monoisotopic Mass:

182.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6