Name: Name:3-Quinolinecarbonitrile,1,4-dihydro-6-iodo-4-oxo-
Brand: Angene
SKU: AG008ETS
Rating: 90 (10 reviews)

3-Quinolinecarbonitrile,1,4-dihydro-6-iodo-4-oxo-

CAS No.:

872576-92-6

Catalog Number:

AG008ETS

Molecular Formula:

C10H5IN2O

Molecular Weight:

296.0640

Catalog Number:

AG008ETS

Chemical Name:

3-Quinolinecarbonitrile,1,4-dihydro-6-iodo-4-oxo-

CAS Number:

872576-92-6

Molecular Formula:

C10H5IN2O

Molecular Weight:

296.0640

MDL Number:

MFCD09743941

IUPAC Name:

6-iodo-4-oxo-1H-quinoline-3-carbonitrile

InChI:

InChI=1S/C10H5IN2O/c11-7-1-2-9-8(3-7)10(14)6(4-12)5-13-9/h1-3,5H,(H,13,14)

InChI Key:

CNKWXTMFDVZLQN-UHFFFAOYSA-N

SMILES:

N#Cc1cnc2c(c1O)cc(cc2)I

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.945g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.067g/mol

Monoisotopic Mass:

295.945g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1