5-(3,4-dichlorophenyl)-5-oxopentanoic acid

5-(3,4-dichlorophenyl)-5-oxopentanoic acid

CAS: 168135-66-8

Formula: C11H10Cl2O3

SMILES: OC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1

IUPAC: 5-(3,4-dichlorophenyl)-5-oxopentanoic acid

InChI: InChI=1S/C11H10Cl2O3/c12-8-5-4-7(6-9(8)13)10(14)2-1-3-11(15)16/h4-6H,1-3H2,(H,15,16)

Composition: C (50.60%), H (3.86%), Cl (27.15%), O (18.38%)

Molar Mass: 261.1

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	260.0006996
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XDNXUPLVNCSNBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.56
Topological Polar Surface Area	54.37
Polarizability	23.99
Ring Count	1
Rotatable Bond Count	5

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