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Chemical ID: 7209403
Chemical ID:
7209403
Name [?]:
ethyl 2-(2,4-dibromo-6-formyl-phenoxy)acetate
SMILES [?]:
CCOC(=O)COc1c(cc(cc1Br)Br)C=O
InChi [?]:
InChI=1/C11H10Br2O4/c1-2-16-10(15)6-17-11-7(5-14)3-8(12)4-9(11)13/h3-5H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,12,16,6,9,11,13,4,8,15,14,17,5,3,7/rA:17nCCOCOCOCCCCCCBrBrCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10Br2O4 |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38701 |
Area: | 459.026 |
Solvation: | -4.08864 |
Coulombic: | -33.6823 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.003 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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