2,4-difluoro-3,5-dimethoxybenzoic acid

2,4-difluoro-3,5-dimethoxybenzoic acid

CAS: 1003709-80-5

Formula: C9H8F2O4

SMILES: COC1=C(F)C(OC)=C(F)C(=C1)C(O)=O

IUPAC: 2,4-difluoro-3,5-dimethoxybenzoic acid

InChI: InChI=1S/C9H8F2O4/c1-14-5-3-4(9(12)13)6(10)8(15-2)7(5)11/h3H,1-2H3,(H,12,13)

Composition: C (49.55%), H (3.70%), F (17.42%), O (29.34%)

Molar Mass: 218.156

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.039065064
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LLRUPRYHYIFLJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.67
Topological Polar Surface Area	55.76
Polarizability	17.39
Ring Count	1
Rotatable Bond Count	3

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