methyl 4-fluoro-2-methoxy-5-nitrobenzoate

methyl 4-fluoro-2-methoxy-5-nitrobenzoate

CAS: 151793-17-8

Formula: C9H8FNO5

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

IUPAC: methyl 4-fluoro-2-methoxy-5-nitrobenzoate

InChI: InChI=1S/C9H8FNO5/c1-15-8-4-6(10)7(11(13)14)3-5(8)9(12)16-2/h3-4H,1-2H3

Composition: C (47.17%), H (3.52%), F (8.29%), N (6.11%), O (34.91%)

Molar Mass: 229.163

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.038650525
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LHAVJVZNGLTPCY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.08
Topological Polar Surface Area	78.67
Polarizability	19.09
Ring Count	1
Rotatable Bond Count	4

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