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2-phenyl-1H-1,3-benzodiazole-4-carboxylic acid

2-phenyl-1H-1,3-benzodiazole-4-carboxylic acid

CAS: 66630-72-6

Formula: C14H10N2O2

SMILES: OC(=O)C1=C2N=C(NC2=CC=C1)C1=CC=CC=C1

IUPAC: 2-phenyl-1H-1,3-benzodiazole-4-carboxylic acid

InChI: InChI=1S/C14H10N2O2/c17-14(18)10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,(H,15,16)(H,17,18)

Composition: C (70.58%), H (4.23%), N (11.76%), O (13.43%)

Molar Mass: 238.246

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 238.07422757
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LZGYSXDYTDCYCR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.33
Topological Polar Surface Area 65.98
Polarizability 27.27
Ring Count 3
Rotatable Bond Count 2

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 66630-72-6 $51.35-$86.31$51.35$63.37$86.31
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Kinentia Biosciences LLC
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97% <14 Days 66630-72-6 $170.10-$255.15$170.10$255.15
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