Chemical ID: 4115094

Cc1c(nc(nc1Cl)C(F)(F)F)C
Chemical ID:
4115094
Name [?]:
4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
SMILES [?]:
Cc1c(nc(nc1Cl)C(F)(F)F)C
InChi [?]:
InChI=1/C7H6ClF3N2/c1-3-4(2)12-6(7(9,10)11)13-5(3)8/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,7,5,9,8,10,11,12,4,6/E:(9,10,11)/rA:13nCCCNCNCClCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s9;s9;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6ClF3N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.99534
Area:331.704
Solvation:-1.29726
Coulombic:-32.543
Bond Count [?]
All:13
Single:10
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:210.584
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.99
LogP (Chemaxon):3.47

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Descriptor Annotations

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