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Chemical ID: 6669764
Chemical ID:
6669764
Name [?]:
N-(2,6-dibromo-4-chloro-phenyl)furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2c(cc(cc2Br)Cl)Br
InChi [?]:
InChI=1/C11H6Br2ClNO2/c12-7-4-6(14)5-8(13)10(7)15-11(16)9-2-1-3-17-9/h1-5H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,13,12,10,14,3,9,6,17,15,16,8,7,4/E:(4,5)(7,8)(12,13)/rA:17nCCCOCCONCCCCCCBrClBr/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H6Br2ClNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00451 |
Area: | 442.326 |
Solvation: | -2.05365 |
Coulombic: | -30.4966 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 379.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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