Chemical ID: 7209403

CCOC(=O)COc1c(cc(cc1Br)Br)C=O
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

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