1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate

1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate

CAS: 5292-47-7

Formula: C10H9FO4

SMILES: COC(=O)C1=CC=C(C(=O)OC)C(F)=C1

IUPAC: 1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate

InChI: InChI=1S/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

Composition: C (56.61%), H (4.28%), F (8.95%), O (30.16%)

Molar Mass: 212.176

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.048486933
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NCRFSIQSCLJDIC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.33
Topological Polar Surface Area	52.6
Polarizability	18.98
Ring Count	1
Rotatable Bond Count	4

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