Name: Name:1,3-diethyl 2-(4-bromo-2-fluorobenzoyl)propanedioate
Brand: Angene
SKU: AG01A536
Rating: 90 (10 reviews)

1,3-diethyl 2-(4-bromo-2-fluorobenzoyl)propanedioate

CAS No.:

1432681-52-1

Catalog Number:

AG01A536

Molecular Formula:

C14H14BrFO5

Molecular Weight:

361.1604

Catalog Number:

AG01A536

Chemical Name:

1,3-diethyl 2-(4-bromo-2-fluorobenzoyl)propanedioate

CAS Number:

1432681-52-1

Molecular Formula:

C14H14BrFO5

Molecular Weight:

361.1604

MDL Number:

MFCD24369224

IUPAC Name:

diethyl 2-(4-bromo-2-fluorobenzoyl)propanedioate

InChI:

InChI=1S/C14H14BrFO5/c1-3-20-13(18)11(14(19)21-4-2)12(17)9-6-5-8(15)7-10(9)16/h5-7,11H,3-4H2,1-2H3

InChI Key:

WSYMSEUMLYZFLW-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(C(=O)c1ccc(cc1F)Br)C(=O)OCC

Complexity:

383

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.001g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.163g/mol

Monoisotopic Mass:

360.001g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3