Name: Name:5-bromo-1-[2-(tert-butoxy)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Brand: Angene
SKU: AG01ELD1
Rating: 90 (10 reviews)

5-bromo-1-[2-(tert-butoxy)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid

CAS No.:

2138236-26-5

Catalog Number:

AG01ELD1

Molecular Formula:

C12H14BrNO5

Molecular Weight:

332.1473

Catalog Number:

AG01ELD1

Chemical Name:

5-bromo-1-[2-(tert-butoxy)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid

CAS Number:

2138236-26-5

Molecular Formula:

C12H14BrNO5

Molecular Weight:

332.1473

MDL Number:

MFCD31558751

IUPAC Name:

5-bromo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

InChI:

InChI=1S/C12H14BrNO5/c1-12(2,3)19-9(15)6-14-5-7(13)4-8(10(14)16)11(17)18/h4-5H,6H2,1-3H3,(H,17,18)

InChI Key:

JUYVDOSFSSYGTQ-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Cn1cc(Br)cc(c1=O)C(=O)O

Complexity:

487

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.006g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.15g/mol

Monoisotopic Mass:

331.006g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: