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Chemical ID: 4135858
Chemical ID:
4135858
Name [?]:
5-(2,4-dichlorophenyl)-2-(2,4-difluorophenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
c1cc(c(cc1F)F)n2c(cc(n2)c3ccc(cc3Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C16H8Cl2F2N2O2/c17-8-1-3-10(11(18)5-8)13-7-15(16(23)24)22(21-13)14-4-2-9(19)6-12(14)20/h1-7H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:16,1,15,2,18,5,11,17,6,14,19,4,12,3,10,22,21,20,7,8,13,9,23,24/E:(23,24)/rA:24nCCCCCCFFNCCCNCCCCCCClClCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s17;s10;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H8Cl2F2N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.343 |
Area: | 513.842 |
Solvation: | -4.50305 |
Coulombic: | -40.5084 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.149 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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