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2,5-difluoro-4-formylbenzoic acid

2,5-difluoro-4-formylbenzoic acid

CAS: 1890953-67-9

Formula: C8H4F2O3

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

IUPAC: 2,5-difluoro-4-formylbenzoic acid

InChI: InChI=1S/C8H4F2O3/c9-6-2-5(8(12)13)7(10)1-4(6)3-11/h1-3H,(H,12,13)

Composition: C (51.63%), H (2.17%), F (20.42%), O (25.79%)

Molar Mass: 186.114

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.012850315
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LIBRYAQSVXEDNN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.33
Topological Polar Surface Area 54.37
Polarizability 14.25
Ring Count 1
Rotatable Bond Count 2

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