4-ethoxy-2,3-difluorobenzoic acid

4-ethoxy-2,3-difluorobenzoic acid

CAS: 124728-45-6

Formula: C9H8F2O3

SMILES: CCOC1=CC=C(C(O)=O)C(F)=C1F

IUPAC: 4-ethoxy-2,3-difluorobenzoic acid

InChI: InChI=1S/C9H8F2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4H,2H2,1H3,(H,12,13)

Composition: C (53.47%), H (3.99%), F (18.80%), O (23.74%)

Molar Mass: 202.157

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.044150444
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KMFHBAZUQFJVKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.96
Topological Polar Surface Area	46.53
Polarizability	16.62
Ring Count	1
Rotatable Bond Count	3

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