Chemical ID: 6627032

c1cc(cc(c1)Cl)n2c(c(cn2)C(=O)O)C(F)(F)F
Chemical ID:
6627032
Name [?]:
1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILES [?]:
c1cc(cc(c1)Cl)n2c(c(cn2)C(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C11H6ClF3N2O2/c12-6-2-1-3-7(4-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,4,11,5,3,10,9,13,16,7,17,18,19,12,8,14,15/E:(13,14,15)(18,19)/rA:19nCCCCCCClNCCCNCOOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;s8d11;s10;d13;s13;s9;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6ClF3N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.21423
Area:410.334
Solvation:-3.04412
Coulombic:-50.0731
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.626
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.25
LogP (Chemaxon):2.68

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