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Chemical ID: 4513401
Chemical ID:
4513401
Name [?]:
3-bromo-5-chloro-2-hydroxy-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(cc(c2O)Br)Cl
InChi [?]:
InChI=1/C14H11BrClNO2/c1-8-2-4-10(5-3-8)17-14(19)11-6-9(16)7-12(15)13(11)18/h2-7,18H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,12,14,2,13,5,11,15,16,9,18,19,8,17,10/E:(2,3)(4,5)/rA:19nCCCCCCCNCOCCCCCCOBrCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11BrClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60219 |
Area: | 471.778 |
Solvation: | -3.19225 |
Coulombic: | -37.2462 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 340.599 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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