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Chemical ID: 6340783
Chemical ID:
6340783
Name [?]:
N-(2,4-dibromophenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C13H9Br2NO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,11,14,4,13,15,10,7,17,16,9,8/E:(2,3)(4,5)/rA:17nCCCCCCCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9Br2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44484 |
Area: | 433.595 |
Solvation: | -1.39504 |
Coulombic: | -23.9329 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 355.025 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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