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4-(cyclopropylmethoxy)-2-fluorobenzoic acid

4-(cyclopropylmethoxy)-2-fluorobenzoic acid

CAS: 742086-08-4

Formula: C11H11FO3

SMILES: OC(=O)C1=CC=C(OCC2CC2)C=C1F

IUPAC: 4-(cyclopropylmethoxy)-2-fluorobenzoic acid

InChI: InChI=1S/C11H11FO3/c12-10-5-8(15-6-7-1-2-7)3-4-9(10)11(13)14/h3-5,7H,1-2,6H2,(H,13,14)

Composition: C (62.85%), H (5.27%), F (9.04%), O (22.83%)

Molar Mass: 210.204

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.069222377
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VKUOOCAJGLYUED-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.94
Topological Polar Surface Area 46.53
Polarizability 19.72
Ring Count 2
Rotatable Bond Count 4

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