4-(difluoromethoxy)-3-methoxybenzoic acid

4-(difluoromethoxy)-3-methoxybenzoic acid

CAS: 162401-59-4

Formula: C9H8F2O4

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

IUPAC: 4-(difluoromethoxy)-3-methoxybenzoic acid

InChI: InChI=1S/C9H8F2O4/c1-14-7-4-5(8(12)13)2-3-6(7)15-9(10)11/h2-4,9H,1H3,(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	QEZBOPWZULAPBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.25
Topological Polar Surface Area	55.76
Polarizability	17.45
Ring Count	1
Rotatable Bond Count	4

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