5-(2-bromophenyl)-5-oxopentanoic acid

5-(2-bromophenyl)-5-oxopentanoic acid

CAS: 124576-25-6

Formula: C11H11BrO3

SMILES: OC(=O)CCCC(=O)C1=CC=CC=C1Br

IUPAC: 5-(2-bromophenyl)-5-oxopentanoic acid

InChI: InChI=1S/C11H11BrO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)

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	0
Exact Mass	269.989157
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UBVADNGAAQDTJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.58
Topological Polar Surface Area	54.37
Polarizability	23
Ring Count	1
Rotatable Bond Count	5

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