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

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

CAS: 1163287-01-1

Formula: C9H8FNO4

SMILES: COC(=O)C1=CC(=C(F)C=C1C)[N+]([O-])=O

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

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

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	JUCFNZJKUATDQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.66
Topological Polar Surface Area	69.44
Polarizability	18.26
Ring Count	1
Rotatable Bond Count	3

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