5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde

5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde

CAS: 885280-34-2

Formula: C8H5FN2O

SMILES: FC1=CC=C2NC(C=O)=NC2=C1

IUPAC: 5-fluoro-1H-1,3-benzodiazole-2-carbaldehyde

InChI: InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-4H,(H,10,11)

Composition: C (58.54%), H (3.07%), F (11.57%), N (17.07%), O (9.75%)

Molar Mass: 164.139

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	164.038590952
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XTQRRWMIWMTBDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.23
Topological Polar Surface Area	45.75
Polarizability	16.22
Ring Count	2
Rotatable Bond Count	1

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