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3-chloro-3',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acid

3-chloro-3',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261992-00-0

Formula: C15H13ClO4

SMILES: COC1=CC(=CC(OC)=C1)C1=CC=C(C(O)=O)C(Cl)=C1

IUPAC: 3-chloro-3',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C15H13ClO4/c1-19-11-5-10(6-12(8-11)20-2)9-3-4-13(15(17)18)14(16)7-9/h3-8H,1-2H3,(H,17,18)

Composition: C (61.55%), H (4.48%), Cl (12.11%), O (21.86%)

Molar Mass: 292.72

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 292.0502366
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VYJUVLGBBUTPNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.18
Topological Polar Surface Area 55.76
Polarizability 30.52
Ring Count 2
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 1261992-00-0 $409.40-$1,713.50$409.40$1,061.45$1,713.50
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