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Chemical ID: 4734522
Chemical ID:
4734522
Name [?]:
4,7-dichloroindoline-2,3-dione
SMILES [?]:
c1cc(c2c(c1Cl)C(=O)C(=O)N2)Cl
InChi [?]:
InChI=1/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,10,7,13,12,9,11/rA:13nCCCCCCClCOCONCl/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s8;d10;s4s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H3Cl2NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2914 |
Area: | 352.158 |
Solvation: | -2.51256 |
Coulombic: | -30.754 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 216.02 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.83 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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