methyl 2,6-difluoro-4-hydroxybenzoate

methyl 2,6-difluoro-4-hydroxybenzoate

CAS: 194938-88-0

Formula: C8H6F2O3

SMILES: COC(=O)C1=C(F)C=C(O)C=C1F

IUPAC: methyl 2,6-difluoro-4-hydroxybenzoate

InChI: InChI=1S/C8H6F2O3/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3,11H,1H3

Composition: C (51.08%), H (3.21%), F (20.20%), O (25.51%)

Molar Mass: 188.13

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.028500379
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZPVGRBTXDTZVIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.5
Topological Polar Surface Area	46.53
Polarizability	14.99
Ring Count	1
Rotatable Bond Count	2

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