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3,5-dichloro-4-fluorobenzoic acid

3,5-dichloro-4-fluorobenzoic acid

CAS: 98191-30-1

Formula: C7H3Cl2FO2

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

IUPAC: 3,5-dichloro-4-fluorobenzoic acid

InChI: InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)

Composition: C (40.23%), H (1.45%), Cl (33.92%), F (9.09%), O (15.31%)

Molar Mass: 209

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.9494129
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CRRHVMZOOBWYRG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.14
Topological Polar Surface Area 37.3
Polarizability 16.43
Ring Count 1
Rotatable Bond Count 1

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