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4-chloro-3-(difluoromethyl)-1H-pyrazole

4-chloro-3-(difluoromethyl)-1H-pyrazole

CAS: 2247207-72-1

Formula: C4H3ClF2N2

SMILES: FC(F)C1=NNC=C1Cl

IUPAC: 4-chloro-3-(difluoromethyl)-1H-pyrazole

InChI: InChI=1S/C4H3ClF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9)

Composition: C (31.50%), H (1.98%), Cl (23.24%), F (24.91%), N (18.37%)

Molar Mass: 152.53

Atom Count: 12

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 151.9952821
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HATISBHUEZDBQA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.28
Topological Polar Surface Area 28.68
Polarizability 10.71
Ring Count 1
Rotatable Bond Count 1

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