Name: Name:5-{[(2-chloropyridin-4-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Brand: Angene
SKU: AG01ACST
Rating: 90 (10 reviews)

5-{[(2-chloropyridin-4-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

CAS No.:

1018812-97-9

Catalog Number:

AG01ACST

Molecular Formula:

C12H11ClN2O4

Molecular Weight:

282.6797

Catalog Number:

AG01ACST

Chemical Name:

5-{[(2-chloropyridin-4-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

CAS Number:

1018812-97-9

Molecular Formula:

C12H11ClN2O4

Molecular Weight:

282.6797

MDL Number:

MFCD26936115

IUPAC Name:

5-[[(2-chloropyridin-4-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

InChI:

InChI=1S/C12H11ClN2O4/c1-12(2)18-10(16)8(11(17)19-12)6-15-7-3-4-14-9(13)5-7/h3-6H,1-2H3,(H,14,15)

InChI Key:

HPQAIINVWNBJEQ-UHFFFAOYSA-N

SMILES:

Clc1nccc(c1)NC=C1C(=O)OC(OC1=O)(C)C

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.68g/mol

Monoisotopic Mass:

282.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3