methyl 2-(2-bromophenyl)-3-oxobutanoate

methyl 2-(2-bromophenyl)-3-oxobutanoate

CAS: 1243144-97-9

Formula: C11H11BrO3

SMILES: COC(=O)C(C(C)=O)C1=CC=CC=C1Br

IUPAC: methyl 2-(2-bromophenyl)-3-oxobutanoate

InChI: InChI=1/C11H11BrO3/c1-7(13)10(11(14)15-2)8-5-3-4-6-9(8)12/h3-6,10H,1-2H3

Composition: C (48.73%), H (4.09%), Br (29.47%), O (17.70%)

Molar Mass: 271.11

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.989157
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KWNLLHXMARGDDM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.6
Topological Polar Surface Area	43.37
Polarizability	23.24
Ring Count	1
Rotatable Bond Count	4

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