Chemical ID: 4734839

c1cc(ccc1C(F)(F)F)N=C=O
Chemical ID:
4734839
Name [?]:
1-isocyanato-4-(trifluoromethyl)benzene
SMILES [?]:
c1cc(ccc1C(F)(F)F)N=C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H4F3NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.29829
Area:321.633
Solvation:-1.74253
Coulombic:-30.9034
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:187.119
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.86
LogP (Chemaxon):2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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