Chemical ID: 4786278

CC1=C(C(N=C(N1)C(F)(F)F)(C)O)Oc2ccc(cc2)Cl
Chemical ID:
4786278
Name [?]:
5-(4-chlorophenoxy)-4,6-dimethyl-2-(trifluoromethyl)-1H-pyrimidin-4-ol
SMILES [?]:
CC1=C(C(N=C(N1)C(F)(F)F)(C)O)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H12ClF3N2O2/c1-7-10(21-9-5-3-8(14)4-6-9)12(2,20)19-11(18-7)13(15,16)17/h3-6,20H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,12,17,19,16,20,2,18,15,3,6,4,8,21,9,10,11,7,5,13,14/E:(3,4)(5,6)(15,16,17)/rA:21cCCCCNCNCFFFCOOCCCCCCCl/rB:s1;d2;s3;s4;d5;s2s6;s6;s8;s8;s8;s4;s4;s3;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12ClF3N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.85424
Area:453.481
Solvation:-2.48277
Coulombic:-65.51
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.695
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.62
LogP (Chemaxon):2.57

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