methyl 3-bromo-2-hydroxy-4-oxo-4-phenylbut-2-enoate

methyl 3-bromo-2-hydroxy-4-oxo-4-phenylbut-2-enoate

CAS: 59609-59-5

Formula: C11H9BrO4

SMILES: COC(=O)C(O)=C(Br)C(=O)C1=CC=CC=C1

IUPAC: methyl 3-bromo-2-hydroxy-4-oxo-4-phenylbut-2-enoate

InChI: InChI=1S/C11H9BrO4/c1-16-11(15)10(14)8(12)9(13)7-5-3-2-4-6-7/h2-6,14H,1H3

Composition: C (46.34%), H (3.18%), Br (28.03%), O (22.45%)

Molar Mass: 285.093

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.968422
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LUJXIHCGPBJAJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.77
Topological Polar Surface Area	63.6
Polarizability	23.61
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	59609-59-5		$51.35-$326.66$51.35$63.37$68.83$86.31$109.25$326.66