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3-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde

3-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde

CAS: 875664-59-8

Formula: C10H6F2N2O

SMILES: FC1=CC(=CC(F)=C1)C1=NNC=C1C=O

IUPAC: 3-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde

InChI: InChI=1S/C10H6F2N2O/c11-8-1-6(2-9(12)3-8)10-7(5-15)4-13-14-10/h1-5H,(H,13,14)

Composition: C (57.70%), H (2.91%), F (18.25%), N (13.46%), O (7.69%)

Molar Mass: 208.168

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 208.044819147
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WYPNQEHRMYDLFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.53
Topological Polar Surface Area 45.75
Polarizability 19.36
Ring Count 2
Rotatable Bond Count 2

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