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methyl 2-{4'-chloro-[1,1'-biphenyl]-2-yl}acetate

methyl 2-{4'-chloro-[1,1'-biphenyl]-2-yl}acetate

CAS: 1329489-84-0

Formula: C15H13ClO2

SMILES: COC(=O)CC1=C(C=CC=C1)C1=CC=C(Cl)C=C1

IUPAC: methyl 2-{4'-chloro-[1,1'-biphenyl]-2-yl}acetate

InChI: InChI=1S/C15H13ClO2/c1-18-15(17)10-12-4-2-3-5-14(12)11-6-8-13(16)9-7-11/h2-9H,10H2,1H3

Composition: C (69.10%), H (5.03%), Cl (13.60%), O (12.27%)

Molar Mass: 260.72

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 260.0604074
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IVDHUVDWPPXUBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.08
Topological Polar Surface Area 26.3
Polarizability 29.43
Ring Count 2
Rotatable Bond Count 4

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