ethyl 2-amino-6-fluoro-3-nitrobenzoate

ethyl 2-amino-6-fluoro-3-nitrobenzoate

CAS: 150368-37-9

Formula: C9H9FN2O4

SMILES: CCOC(=O)C1=C(F)C=CC(=C1N)[N+]([O-])=O

IUPAC: ethyl 2-amino-6-fluoro-3-nitrobenzoate

InChI: InChI=1S/C9H9FN2O4/c1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15/h3-4H,2,11H2,1H3

Composition: C (47.37%), H (3.98%), F (8.33%), N (12.28%), O (28.05%)

Molar Mass: 228.179

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.054634941
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PJSMHOIXOKZIMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.07
Topological Polar Surface Area	95.46
Polarizability	19.51
Ring Count	1
Rotatable Bond Count	4

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