ethyl 4-(2-bromophenyl)-3-oxobutanoate

ethyl 4-(2-bromophenyl)-3-oxobutanoate

CAS: 909190-92-7

Formula: C12H13BrO3

SMILES: CCOC(=O)CC(=O)CC1=CC=CC=C1Br

IUPAC: ethyl 4-(2-bromophenyl)-3-oxobutanoate

InChI: InChI=1S/C12H13BrO3/c1-2-16-12(15)8-10(14)7-9-5-3-4-6-11(9)13/h3-6H,2,7-8H2,1H3

Composition: C (50.55%), H (4.60%), Br (28.02%), O (16.83%)

Molar Mass: 285.137

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.004807
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VYZLJMJWBQRSJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.4
Topological Polar Surface Area	43.37
Polarizability	25.06
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	909190-92-7		$141.12-$633.60$141.12$211.20$633.60