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4-chloro-2,5-difluorobenzoic acid

4-chloro-2,5-difluorobenzoic acid

CAS: 132794-07-1

Formula: C7H3ClF2O2

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

IUPAC: 4-chloro-2,5-difluorobenzoic acid

InChI: InChI=1S/C7H3ClF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)

Composition: C (43.67%), H (1.57%), Cl (18.41%), F (19.73%), O (16.62%)

Molar Mass: 192.55

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.9789634
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PEPCYJSDHYMIFN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.55
Topological Polar Surface Area 37.3
Polarizability 14.3
Ring Count 1
Rotatable Bond Count 1

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