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2,2,2-trichloroethyl 3,5-dihydroxybenzoate

2,2,2-trichloroethyl 3,5-dihydroxybenzoate

CAS: 143330-91-0

Formula: C9H7Cl3O4

SMILES: OC1=CC(=CC(O)=C1)C(=O)OCC(Cl)(Cl)Cl

IUPAC: 2,2,2-trichloroethyl 3,5-dihydroxybenzoate

InChI: InChI=1S/C9H7Cl3O4/c10-9(11,12)4-16-8(15)5-1-6(13)3-7(14)2-5/h1-3,13-14H,4H2

Composition: C (37.86%), H (2.47%), Cl (37.25%), O (22.42%)

Molar Mass: 285.5

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 283.9409918
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UJFDPTHAQUCMRW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62
Topological Polar Surface Area 66.76
Polarizability 23.63
Ring Count 1
Rotatable Bond Count 4

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