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3-cyclopropyl-4-fluorobenzoic acid

3-cyclopropyl-4-fluorobenzoic acid

CAS: 1063733-86-7

Formula: C10H9FO2

SMILES: OC(=O)C1=CC(C2CC2)=C(F)C=C1

IUPAC: 3-cyclopropyl-4-fluorobenzoic acid

InChI: InChI=1S/C10H9FO2/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6H,1-2H2,(H,12,13)

Composition: C (66.66%), H (5.04%), F (10.54%), O (17.76%)

Molar Mass: 180.178

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.058657693
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BCWIANHQGXRUTR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.92
Topological Polar Surface Area 37.3
Polarizability 17.09
Ring Count 2
Rotatable Bond Count 2

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