Chemical ID: 4227191

c1cc(c(cc1Cl)c2cc([nH]n2)C(F)(F)F)O
Chemical ID:
4227191
Name [?]:
4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-phenol
SMILES [?]:
c1cc(c(cc1Cl)c2cc([nH]n2)C(F)(F)F)O
InChi [?]:
InChI=1/C10H6ClF3N2O/c11-5-1-2-8(17)6(3-5)7-4-9(16-15-7)10(12,13)14/h1-4,17H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,6,4,8,3,10,13,7,14,15,16,12,11,17/E:(12,13,14)/rA:17nCCCCCCClCCCNNCFFFO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d8s11;s10;s13;s13;s13;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6ClF3N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.50116
Area:397.332
Solvation:-3.43215
Coulombic:-44.6381
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.615
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.8
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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