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Chemical ID: 6414370
Chemical ID:
6414370
Name [?]:
2-bromo-6-[(3-chloro-4-methoxy-phenyl)iminomethyl]-4-methyl-phenol
SMILES [?]:
Cc1cc(c(c(c1)Br)O)C=Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C15H13BrClNO2/c1-9-5-10(15(19)12(16)6-9)8-18-11-3-4-14(20-2)13(17)7-11/h3-8,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,13,14,3,7,17,10,2,4,12,6,16,15,5,8,18,11,9,19/rA:20nCCCCCCCBrOCNCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s4;w10;s11;s12;d13;s14;d15;d12s16;s16;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25873 |
Area: | 465.56 |
Solvation: | -3.38026 |
Coulombic: | -29.8585 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.626 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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