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Chemical ID: 5793916
Chemical ID:
5793916
Name [?]:
2-bromo-4-chloro-6-[(3-chloro-4-methoxy-phenyl)iminomethyl]phenol
SMILES [?]:
COc1ccc(cc1Cl)N=Cc2cc(cc(c2O)Br)Cl
InChi [?]:
InChI=1/C14H10BrCl2NO2/c1-20-13-3-2-10(6-12(13)17)18-7-8-4-9(16)5-11(15)14(8)19/h2-7,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,13,15,7,11,12,14,6,16,8,3,17,19,20,9,10,18,2/rA:20nCOCCCCCCClNCCCCCCCOBrCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;s12;d13;s14;d15;d12s16;s17;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrCl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24994 |
Area: | 469.454 |
Solvation: | -3.48642 |
Coulombic: | -29.5661 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.044 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.93 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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