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

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

CAS: 1237071-49-6

Formula: C14H11ClO3

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

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

InChI: InChI=1S/C14H11ClO3/c1-18-11-4-2-3-9(7-11)10-5-6-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)

Composition: C (64.01%), H (4.22%), Cl (13.50%), O (18.27%)

Molar Mass: 262.69

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 262.0396719
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SWRZETFUQIUCRC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.72
Topological Polar Surface Area 46.53
Polarizability 28
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1237071-49-6 $409.40-$1,713.50$409.40$1,061.45$1,713.50
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