4-fluoro-2,5-dimethylbenzoic acid

4-fluoro-2,5-dimethylbenzoic acid

CAS: 1427082-14-1

Formula: C9H9FO2

SMILES: CC1=CC(C(O)=O)=C(C)C=C1F

IUPAC: 4-fluoro-2,5-dimethylbenzoic acid

InChI: InChI=1S/C9H9FO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)

Composition: C (64.28%), H (5.39%), F (11.30%), O (19.03%)

Molar Mass: 168.167

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.058657693
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YQUAYBHLIPCMOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.61
Topological Polar Surface Area	37.3
Polarizability	15.9
Ring Count	1
Rotatable Bond Count	1

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