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2-chloro-4-(trifluoromethyl)benzoic acid

2-chloro-4-(trifluoromethyl)benzoic acid

CAS: 23228-45-7

Formula: C8H4ClF3O2

SMILES: OC(=O)C1=C(Cl)C=C(C=C1)C(F)(F)F

IUPAC: 2-chloro-4-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H4ClF3O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)

Composition: C (42.79%), H (1.80%), Cl (15.79%), F (25.38%), O (14.25%)

Molar Mass: 224.56

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.9851916
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DTIJZEUKFYGSEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.09
Topological Polar Surface Area 37.3
Polarizability 16.06
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 23228-45-7 $359.00-$523.00$359.00$395.00$523.00
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Kinentia Biosciences LLC
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97% <14 Days 23228-45-7 $94.50-$283.50$94.50$283.50
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