4-fluorobenzene-1,2-dicarboxylic acid

4-fluorobenzene-1,2-dicarboxylic acid

CAS: 320-97-8

Formula: C8H5FO4

SMILES: OC(=O)C1=CC=C(F)C=C1C(O)=O

IUPAC: 4-fluorobenzene-1,2-dicarboxylic acid

InChI: InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

Composition: C (52.19%), H (2.74%), F (10.32%), O (34.76%)

Molar Mass: 184.122

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.017186804
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OMCXTFVBNCFZMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.79
Topological Polar Surface Area	74.6
Polarizability	14.92
Ring Count	1
Rotatable Bond Count	2

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