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2-(chlorodifluoromethyl)-1H-1,3-benzodiazole

2-(chlorodifluoromethyl)-1H-1,3-benzodiazole

CAS: 14468-38-3

Formula: C8H5ClF2N2

SMILES: FC(F)(Cl)C1=NC2=CC=CC=C2N1

IUPAC: 2-(chlorodifluoromethyl)-1H-1,3-benzodiazole

InChI: InChI=1S/C8H5ClF2N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)

Composition: C (47.43%), H (2.49%), Cl (17.50%), F (18.76%), N (13.83%)

Molar Mass: 202.59

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 202.0109322
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MZHAPNWLKUEQQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.25
Topological Polar Surface Area 28.68
Polarizability 17.82
Ring Count 2
Rotatable Bond Count 1

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