Chemical ID: 4710477

c1ccc(cc1)n2c(c(c(n2)C(F)(F)F)C=O)Cl
Chemical ID:
4710477
Name [?]:
5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILES [?]:
c1ccc(cc1)n2c(c(c(n2)C(F)(F)F)C=O)Cl
InChi [?]:
InChI=1/C11H6ClF3N2O/c12-10-8(6-18)9(11(13,14)15)16-17(10)7-4-2-1-3-5-7/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,16,4,9,10,8,12,18,13,14,15,11,7,17/E:(2,3)(4,5)(13,14,15)/rA:18nCCCCCCNCCCNCFFFCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;s12;s12;s9;d16;s8;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6ClF3N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.84008
Area:401.289
Solvation:-3.19214
Coulombic:-31.3592
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.626
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.25
LogP (Chemaxon):3.09

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