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Chemical ID: 5871037
Chemical ID:
5871037
Name [?]:
2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-ethanone
SMILES [?]:
c1c(c([nH]c1C(=O)C(Cl)(Cl)Cl)Br)Br
InChi [?]:
InChI=1/C6H2Br2Cl3NO/c7-2-1-3(12-5(2)8)4(13)6(9,10)11/h1,12H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,8,13,12,9,10,11,4,7/E:(9,10,11)/rA:13nCCCNCCOCClClClBrBr/rB:s1;d2;s3;d1s4;s5;d6;s6;s8;s8;s8;s3;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H2Br2Cl3NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7675 |
Area: | 399.951 |
Solvation: | -1.23128 |
Coulombic: | -23.2383 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.252 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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