2-fluoro-5-hydroxy-4-methylbenzoic acid

2-fluoro-5-hydroxy-4-methylbenzoic acid

CAS: 870221-14-0

Formula: C8H7FO3

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

IUPAC: 2-fluoro-5-hydroxy-4-methylbenzoic acid

InChI: InChI=1S/C8H7FO3/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3,10H,1H3,(H,11,12)

Composition: C (56.48%), H (4.15%), F (11.17%), O (28.21%)

Molar Mass: 170.139

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.037922248
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HHMKFYPHQRSEPC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.55
Topological Polar Surface Area	57.53
Polarizability	14.84
Ring Count	1
Rotatable Bond Count	1

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