methyl 2-fluoro-5-nitrobenzoate

methyl 2-fluoro-5-nitrobenzoate

CAS: 2965-22-2

Formula: C8H6FNO4

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

IUPAC: methyl 2-fluoro-5-nitrobenzoate

InChI: InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3

Composition: C (48.25%), H (3.04%), F (9.54%), N (7.03%), O (32.14%)

Molar Mass: 199.137

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.02808584
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JZLONOOYIXEAHM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.62
Topological Polar Surface Area	69.44
Polarizability	16.53
Ring Count	1
Rotatable Bond Count	3

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