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2-(4-fluorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid

2-(4-fluorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid

CAS: 850705-30-5

Formula: C14H9FN2O2

SMILES: OC(=O)C1=CC=C2NC(=NC2=C1)C1=CC=C(F)C=C1

IUPAC: 2-(4-fluorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid

InChI: InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)

Composition: C (65.62%), H (3.54%), F (7.41%), N (10.93%), O (12.49%)

Molar Mass: 256.236

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 256.064805701
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YLECAKVNZMDMNS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.54
Topological Polar Surface Area 65.98
Polarizability 26.88
Ring Count 3
Rotatable Bond Count 2

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