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Chemical ID: 6343201
Chemical ID:
6343201
Name [?]:
N-(2,4-dibromophenyl)-5-methyl-furan-2-carboxamide
SMILES [?]:
Cc1ccc(o1)C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C12H9Br2NO2/c1-7-2-5-11(17-7)12(16)15-10-4-3-8(13)6-9(10)14/h2-6H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,12,11,4,14,2,13,15,10,5,7,17,16,9,8,6/rA:17nCCCCCOCONCCCCCCBrBr/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9Br2NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28604 |
Area: | 439.987 |
Solvation: | -1.71362 |
Coulombic: | -30.6682 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 359.013 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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