Name: Name:6-(3-chloro-4-fluorobenzoyl)-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile
Brand: Angene
SKU: AG01DJ9E
Rating: 90 (10 reviews)

6-(3-chloro-4-fluorobenzoyl)-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile

CAS No.:

448920-97-6

Catalog Number:

AG01DJ9E

Molecular Formula:

C14H12ClFN2O2

Molecular Weight:

294.7087

Catalog Number:

AG01DJ9E

Chemical Name:

6-(3-chloro-4-fluorobenzoyl)-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile

CAS Number:

448920-97-6

Molecular Formula:

C14H12ClFN2O2

Molecular Weight:

294.7087

MDL Number:

MFCD26401576

IUPAC Name:

6-(3-chloro-4-fluorobenzoyl)-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile

InChI:

InChI=1S/C14H12ClFN2O2/c15-10-7-9(1-2-11(10)16)13(19)18-5-3-14(4-6-18)12(8-17)20-14/h1-2,7,12H,3-6H2

InChI Key:

MOKQWCBSDJFHJI-UHFFFAOYSA-N

SMILES:

N#CC1OC21CCN(CC2)C(=O)c1ccc(c(c1)Cl)F

Complexity:

455

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.71g/mol

Monoisotopic Mass:

294.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9