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1-(difluoromethoxy)-2-fluoro-4-isocyanatobenzene

1-(difluoromethoxy)-2-fluoro-4-isocyanatobenzene

CAS: 1261875-73-3

Formula: C8H4F3NO2

SMILES: FC(F)OC1=C(F)C=C(C=C1)N=C=O

IUPAC: 1-(difluoromethoxy)-2-fluoro-4-isocyanatobenzene

InChI: InChI=1S/C8H4F3NO2/c9-6-3-5(12-4-13)1-2-7(6)14-8(10)11/h1-3,8H

Composition: C (47.31%), H (1.99%), F (28.06%), N (6.90%), O (15.75%)

Molar Mass: 203.12

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.019412862
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RAAFORDAYRKXGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.82
Topological Polar Surface Area 38.66
Polarizability 14.73
Ring Count 1
Rotatable Bond Count 3

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