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Chemical ID: 5684082
Chemical ID:
5684082
Name [?]:
5,7-dibromo-1H-quinolin-8-olate
SMILES [?]:
c1cc2c(cc(c(c2[nH+]c1)[O-])Br)Br
InChi [?]:
InChI=1/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChi Info:
AuxInfo=1/1/N:1,2,10,5,3,4,6,8,7,13,12,9,11/rA:13nCCCCCCCCN+CO-BrBr/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s7;s6;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H5Br2NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -15.751 |
Area: | 346.592 |
Solvation: | -24.4158 |
Coulombic: | -34.7505 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 302.95 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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