3-fluoro-5-methylbenzoic acid

3-fluoro-5-methylbenzoic acid

CAS: 518070-19-4

Formula: C8H7FO2

SMILES: CC1=CC(=CC(F)=C1)C(O)=O

IUPAC: 3-fluoro-5-methylbenzoic acid

InChI: InChI=1S/C8H7FO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)

Composition: C (62.34%), H (4.58%), F (12.33%), O (20.76%)

Molar Mass: 154.14

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.043007628
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XPUFVYIUPYNLPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.57
Topological Polar Surface Area	37.3
Polarizability	14.15
Ring Count	1
Rotatable Bond Count	1

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