2-fluoro-5-methoxy-4-nitrobenzoic acid

2-fluoro-5-methoxy-4-nitrobenzoic acid

CAS: 1001345-80-7

Formula: C8H6FNO5

SMILES: COC1=CC(C(O)=O)=C(F)C=C1[N+]([O-])=O

IUPAC: 2-fluoro-5-methoxy-4-nitrobenzoic acid

InChI: InChI=1S/C8H6FNO5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)

Composition: C (44.66%), H (2.81%), F (8.83%), N (6.51%), O (37.18%)

Molar Mass: 215.136

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.02300046
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JXCYBTVSPGQRCM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.31
Topological Polar Surface Area	89.67
Polarizability	17.08
Ring Count	1
Rotatable Bond Count	3

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