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5-{[1,1'-biphenyl]-4-yl}-1H-pyrazole-3-carboxylic acid

5-{[1,1'-biphenyl]-4-yl}-1H-pyrazole-3-carboxylic acid

CAS: 1037816-85-5

Formula: C16H12N2O2

SMILES: OC(=O)C1=NNC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 5-{[1,1'-biphenyl]-4-yl}-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)

Composition: C (72.72%), H (4.58%), N (10.60%), O (12.11%)

Molar Mass: 264.284

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 264.089877634
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ASSWJYJXKAHOPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.78
Topological Polar Surface Area 65.98
Polarizability 31.42
Ring Count 3
Rotatable Bond Count 3

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95% <5 Days 1037816-85-5 $34.05-$320.29$34.05$92.05$320.29
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