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3,3'-dichloro-[1,1'-biphenyl]-4-carboxylic acid

3,3'-dichloro-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261981-20-7

Formula: C13H8Cl2O2

SMILES: OC(=O)C1=CC=C(C=C1Cl)C1=CC(Cl)=CC=C1

IUPAC: 3,3'-dichloro-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C13H8Cl2O2/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)

Composition: C (58.46%), H (3.02%), Cl (26.54%), O (11.98%)

Molar Mass: 267.11

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 265.9901349
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BGIBPEJPVAVIQS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.06
Topological Polar Surface Area 37.3
Polarizability 27.35
Ring Count 2
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1261981-20-7 $409.40-$1,305.25$409.40$1,305.25
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