Name: Name:5-[(4-Bromophenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Brand: Angene
SKU: AG00ACD3
Rating: 90 (10 reviews)

5-[(4-Bromophenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

CAS No.:

187278-01-9

Catalog Number:

AG00ACD3

Molecular Formula:

C13H12BrNO4

Molecular Weight:

326.1427

Catalog Number:

AG00ACD3

Chemical Name:

5-[(4-Bromophenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

CAS Number:

187278-01-9

Molecular Formula:

C13H12BrNO4

Molecular Weight:

326.1427

MDL Number:

MFCD01111607

IUPAC Name:

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

InChI:

InChI=1S/C13H12BrNO4/c1-13(2)18-11(16)10(12(17)19-13)7-15-9-5-3-8(14)4-6-9/h3-7,15H,1-2H3

InChI Key:

FPDIFKRDHUXNFJ-UHFFFAOYSA-N

SMILES:

O=C1OC(C)(C)OC(=O)C1=CNc1ccc(cc1)Br

Complexity:

389

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.146g/mol

Monoisotopic Mass:

324.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1