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Chemical ID: 7515361
Chemical ID:
7515361
Name [?]:
2-[2,6-dichloro-4-[2-(4-chlorophenyl)-2-cyano-vinyl]-phenoxy]acetic acid
SMILES [?]:
c1cc(ccc1C(=Cc2cc(c(c(c2)Cl)OCC(=O)O)Cl)C#N)Cl
InChi [?]:
InChI=1/C17H10Cl3NO3/c18-13-3-1-11(2-4-13)12(8-21)5-10-6-14(19)17(15(20)7-10)24-9-16(22)23/h1-7H,9H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,10,14,22,17,9,6,7,3,11,13,18,12,24,21,15,23,19,20,16/E:(1,2)(3,4)(6,7)(14,15)(19,20)(22,23)/rA:24nCCCCCCCCCCCCCCClOCCOOClCNCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s17;d18;s18;s11;s7;t22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl3NO3 |
All Atoms: | 34 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.72558 |
Area: | 562.137 |
Solvation: | -4.32784 |
Coulombic: | -40.4539 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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