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Chemical ID: 5222885
Chemical ID:
5222885
Name [?]:
1-(2-bromobenzoyl)-2-chloro-indole-3-carbaldehyde
SMILES [?]:
c1ccc2c(c1)c(c(n2C(=O)c3ccccc3Br)Cl)C=O
InChi [?]:
InChI=1/C16H9BrClNO2/c17-13-7-3-1-6-11(13)16(21)19-14-8-4-2-5-10(14)12(9-20)15(19)18/h1-9H
InChi Info:
AuxInfo=1/0/N:14,1,15,2,6,13,16,3,20,5,12,7,17,4,8,10,18,19,9,21,11/rA:21nCCCCCCCCNCOCCCCCCBrClCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s8;s7;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9BrClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28968 |
Area: | 472.425 |
Solvation: | -3.52094 |
Coulombic: | -25.0432 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.605 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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