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methyl 3'-cyano-[1,1'-biphenyl]-3-carboxylate

methyl 3'-cyano-[1,1'-biphenyl]-3-carboxylate

CAS: 168619-12-3

Formula: C15H11NO2

SMILES: COC(=O)C1=CC=CC(=C1)C1=CC=CC(=C1)C#N

IUPAC: methyl 3'-cyano-[1,1'-biphenyl]-3-carboxylate

InChI: InChI=1S/C15H11NO2/c1-18-15(17)14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-16/h2-9H,1H3

Composition: C (75.94%), H (4.67%), N (5.90%), O (13.49%)

Molar Mass: 237.258

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.078978598
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GSUUESGOWAPLGP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.94
Topological Polar Surface Area 50.09
Polarizability 27.55
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 168619-12-3 $246.10-$572.70$246.10$572.70
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