3,6-difluorobenzene-1,2-dicarboxylic acid

3,6-difluorobenzene-1,2-dicarboxylic acid

CAS: 651-97-8

Formula: C8H4F2O4

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

IUPAC: 3,6-difluorobenzene-1,2-dicarboxylic acid

InChI: InChI=1S/C8H4F2O4/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2H,(H,11,12)(H,13,14)

Composition: C (47.54%), H (1.99%), F (18.80%), O (31.66%)

Molar Mass: 202.113

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.007764935
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VFLMWMTWWZGXGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41
Topological Polar Surface Area	74.6
Polarizability	14.83
Ring Count	1
Rotatable Bond Count	2

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