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4-[1-(trifluoromethyl)cyclopropyl]benzoic acid

4-[1-(trifluoromethyl)cyclopropyl]benzoic acid

CAS: 1418128-91-2

Formula: C11H9F3O2

SMILES: OC(=O)C1=CC=C(C=C1)C1(CC1)C(F)(F)F

IUPAC: 4-[1-(trifluoromethyl)cyclopropyl]benzoic acid

InChI: InChI=1S/C11H9F3O2/c12-11(13,14)10(5-6-10)8-3-1-7(2-4-8)9(15)16/h1-4H,5-6H2,(H,15,16)

Composition: C (57.40%), H (3.94%), F (24.76%), O (13.90%)

Molar Mass: 230.186

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.055464019
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BAVKPLHRLZECNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.11
Topological Polar Surface Area 37.3
Polarizability 18.64
Ring Count 2
Rotatable Bond Count 3

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97% <2 Days 1418128-91-2 $966.00-$6,762.00$966.00$1,817.00$6,762.00
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