Chemical ID: 4135858

c1cc(c(cc1F)F)n2c(cc(n2)c3ccc(cc3Cl)Cl)C(=O)O
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

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