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Chemical ID: 4115094
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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