Chemical ID: 5007003

CN1C(=O)c2c(c(c(c(c2Cl)Cl)Cl)Cl)C1=O
Chemical ID:
5007003
Name [?]:
4,5,6,7-tetrachloro-2-methyl-isoindoline-1,3-dione
SMILES [?]:
CN1C(=O)c2c(c(c(c(c2Cl)Cl)Cl)Cl)C1=O
InChi [?]:
InChI=1/C9H3Cl4NO2/c1-14-8(15)2-3(9(14)16)5(11)7(13)6(12)4(2)10/h1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,10,7,9,8,3,15,11,14,12,13,2,4,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:16nCNCOCCCCCCClClClClCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s9;s8;s7;s2s6;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H3Cl4NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.323
Area:409.52
Solvation:-2.91501
Coulombic:-23.6929
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:298.936
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):2.7

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Descriptor Annotations

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