Chemical ID: 7470303

c1ccc(c(c1)C=O)OC(=O)COc2ccc(cc2Br)Br
Chemical ID:
7470303
Name [?]:
(2-formylphenyl) 2-(2,4-dibromophenoxy)acetate
SMILES [?]:
c1ccc(c(c1)C=O)OC(=O)COc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C15H10Br2O4/c16-11-5-6-14(12(17)7-11)20-9-15(19)21-13-4-2-1-3-10(13)8-18/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,15,18,7,12,5,17,19,4,14,10,21,20,8,11,13,9/rA:21nCCCCCCCOOCOCOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10Br2O4
All Atoms:31
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.63075
Area:515.155
Solvation:-4.24812
Coulombic:-34.9744
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:414.046
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):4.31

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