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3'-(benzyloxy)-3-chloro-[1,1'-biphenyl]-4-carboxylic acid

3'-(benzyloxy)-3-chloro-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261938-67-3

Formula: C20H15ClO3

SMILES: OC(=O)C1=CC=C(C=C1Cl)C1=CC=CC(OCC2=CC=CC=C2)=C1

IUPAC: 3'-(benzyloxy)-3-chloro-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C20H15ClO3/c21-19-12-16(9-10-18(19)20(22)23)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)

Composition: C (70.91%), H (4.46%), Cl (10.46%), O (14.17%)

Molar Mass: 338.79

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 338.070972
Formal Charge 0
FSP3 0.05
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LYGJVTNOSZNABW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 94.33
Topological Polar Surface Area 46.53
Polarizability 37.6
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1261938-67-3 $734.85-$2,691.00$734.85$2,691.00
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