Name: Name:5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro-3-oxo-
Brand: Angene
SKU: AG007A10
Rating: 90 (10 reviews)

5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro-3-oxo-

CAS No.:

372941-48-5

Catalog Number:

AG007A10

Molecular Formula:

C15H8FNO2

Molecular Weight:

253.2279

Catalog Number:

AG007A10

Chemical Name:

5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro-3-oxo-

CAS Number:

372941-48-5

Molecular Formula:

C15H8FNO2

Molecular Weight:

253.2279

MDL Number:

MFCD16251388

IUPAC Name:

1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile

InChI:

InChI=1S/C15H8FNO2/c16-11-4-2-10(3-5-11)14-12-6-1-9(8-17)7-13(12)15(18)19-14/h1-7,14H

InChI Key:

VVXGNGGTQDOLGK-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)C(=O)OC2c1ccc(cc1)F

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.232g/mol

Monoisotopic Mass:

253.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5