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Chemical ID: 4532285
Chemical ID:
4532285
Name [?]:
4,5,6,7-tetrachloroisoindoline-1,3-dione
SMILES [?]:
c12c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)NC2=O
InChi [?]:
InChI=1/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,14,11,7,10,8,9,13,15,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:15nCCCCCCClClClClCONCO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;d11;s11;s1s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8HCl4NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74845 |
Area: | 393.015 |
Solvation: | -3.07693 |
Coulombic: | -27.2254 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 284.91 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.48 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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