2-fluoro-4-(hydroxymethyl)benzoic acid

2-fluoro-4-(hydroxymethyl)benzoic acid

CAS: 214554-18-4

Formula: C8H7FO3

SMILES: OCC1=CC=C(C(O)=O)C(F)=C1

IUPAC: 2-fluoro-4-(hydroxymethyl)benzoic acid

InChI: InChI=1S/C8H7FO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,10H,4H2,(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	ZCRWSMHXYHEAQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.35
Topological Polar Surface Area	57.53
Polarizability	14.92
Ring Count	1
Rotatable Bond Count	2

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