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methyl 4'-chloro-3'-hydroxy-[1,1'-biphenyl]-4-carboxylate

methyl 4'-chloro-3'-hydroxy-[1,1'-biphenyl]-4-carboxylate

CAS: 1198422-80-8

Formula: C14H11ClO3

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

IUPAC: methyl 4'-chloro-3'-hydroxy-[1,1'-biphenyl]-4-carboxylate

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

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 2
Hydrogen Bond Donor Count 1
InChIKey RWWICWFUQKISNP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.01
Topological Polar Surface Area 46.53
Polarizability 28.17
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1198422-80-8 $409.40-$1,061.45$409.40$1,061.45
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