4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole

4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole

CAS: 1239479-63-0

Formula: C17H11ClF4N2O2

SMILES: FC(F)OC1=CC=C(C=C1)C1=C(Cl)C(=NN1)C1=CC=C(OC(F)F)C=C1

IUPAC: 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole

InChI: InChI=1S/C17H11ClF4N2O2/c18-13-14(9-1-5-11(6-2-9)25-16(19)20)23-24-15(13)10-3-7-12(8-4-10)26-17(21)22/h1-8,16-17H,(H,23,24)

Composition: C (52.80%), H (2.87%), Cl (9.17%), F (19.65%), N (7.24%), O (8.27%)

Molar Mass: 386.73

Atom Count: 37

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	386.044518
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RMSJCKCNAMGOTI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	87.27
Topological Polar Surface Area	47.14
Polarizability	34.9
Ring Count	3
Rotatable Bond Count	6

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