ethyl 4-fluoro-2-nitrobenzoate

ethyl 4-fluoro-2-nitrobenzoate

CAS: 1072207-10-3

Formula: C9H8FNO4

SMILES: CCOC(=O)C1=C(C=C(F)C=C1)[N+]([O-])=O

IUPAC: ethyl 4-fluoro-2-nitrobenzoate

InChI: InChI=1S/C9H8FNO4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2H2,1H3

Composition: C (50.71%), H (3.78%), F (8.91%), N (6.57%), O (30.02%)

Molar Mass: 213.164

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.043735905
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MTDIULWIFTZWEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.37
Topological Polar Surface Area	69.44
Polarizability	18.33
Ring Count	1
Rotatable Bond Count	4

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