5-fluoro-1H-1,3-benzodiazole-2-carboxylic acid

5-fluoro-1H-1,3-benzodiazole-2-carboxylic acid

CAS: 876710-76-8

Formula: C8H5FN2O2

SMILES: OC(=O)C1=NC2=CC(F)=CC=C2N1

IUPAC: 5-fluoro-1H-1,3-benzodiazole-2-carboxylic acid

InChI: InChI=1S/C8H5FN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)

Composition: C (53.34%), H (2.80%), F (10.55%), N (15.55%), O (17.76%)

Molar Mass: 180.138

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	180.033505572
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	TYXHLKWWJIWESF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.92
Topological Polar Surface Area	65.98
Polarizability	16.71
Ring Count	2
Rotatable Bond Count	1

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