Chemical ID: 7468285

c1cc(ccc1C=O)OC(=O)COc2ccc(cc2Br)Cl
Chemical ID:
7468285
Name [?]:
(4-formylphenyl) 2-(2-bromo-4-chloro-phenoxy)acetate
SMILES [?]:
c1cc(ccc1C=O)OC(=O)COc2ccc(cc2Br)Cl
InChi [?]:
InChI=1/C15H10BrClO4/c16-13-7-11(17)3-6-14(13)20-9-15(19)21-12-4-1-10(8-18)2-5-12/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,16,2,4,15,18,7,12,6,17,3,19,14,10,20,21,8,11,13,9/E:(1,2)(4,5)/rA:21nCCCCCCCOOCOCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrClO4
All Atoms:31
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.08369
Area:526.333
Solvation:-5.07463
Coulombic:-33.897
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.594
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):4.03

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Descriptor Annotations

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