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Chemical ID: 6668636
Chemical ID:
6668636
Name [?]:
N-(2,4,6-tribromophenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2c(cc(cc2Br)Br)Br
InChi [?]:
InChI=1/C13H8Br3NO/c14-9-6-10(15)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,14,4,13,11,15,10,7,17,18,16,9,8/E:(2,3)(4,5)(6,7)(10,11)(15,16)/rA:18nCCCCCCCONCCCCCCBrBrBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br3NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76785 |
Area: | 457.78 |
Solvation: | -1.67665 |
Coulombic: | -23.3442 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 433.921 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.39 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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