Chemical ID: 7196935

Cc1ccc(c(c1)N=C=S)OC(F)F
Chemical ID:
7196935
Name [?]:
1-(difluoromethoxy)-2-isothiocyanato-4-methyl-benzene
SMILES [?]:
Cc1ccc(c(c1)N=C=S)OC(F)F
InChi [?]:
InChI=1/C9H7F2NOS/c1-6-2-3-8(13-9(10)11)7(4-6)12-5-14/h2-4,9H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,2,6,5,12,13,14,8,11,10/E:(10,11)/rA:14nCCCCCCCNCSOCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d9;s5;s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7F2NOS
All Atoms:21
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.65117
Area:364.01
Solvation:-2.44909
Coulombic:-24.2791
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:215.221
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.25
LogP (Chemaxon):4.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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