Name: Name:6,6-difluoro-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-one
Brand: Angene
SKU: AG01EJY4
Rating: 90 (10 reviews)

6,6-difluoro-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-one

CAS No.:

1238627-55-8

Catalog Number:

AG01EJY4

Molecular Formula:

C12H12F2O

Molecular Weight:

210.2199

Catalog Number:

AG01EJY4

Chemical Name:

6,6-difluoro-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-one

CAS Number:

1238627-55-8

Molecular Formula:

C12H12F2O

Molecular Weight:

210.2199

MDL Number:

MFCD31665693

IUPAC Name:

6,6-difluoro-7,8,9,10-tetrahydrobenzo[8]annulen-5-one

InChI:

InChI=1S/C12H12F2O/c13-12(14)8-4-3-6-9-5-1-2-7-10(9)11(12)15/h1-2,5,7H,3-4,6,8H2

InChI Key:

XQSPPRASTQCHFZ-UHFFFAOYSA-N

SMILES:

O=C1c2ccccc2CCCCC1(F)F

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.224g/mol

Monoisotopic Mass:

210.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7