Chemical ID: 7469044

c1cc(cc(c1)OC(=O)COc2ccc(cc2Cl)Br)C=O
Chemical ID:
7469044
Name [?]:
(3-formylphenyl) 2-(4-bromo-2-chloro-phenoxy)acetate
SMILES [?]:
c1cc(cc(c1)OC(=O)COc2ccc(cc2Cl)Br)C=O
InChi [?]:
InChI=1/C15H10BrClO4/c16-11-4-5-14(13(17)7-11)20-9-15(19)21-12-3-1-2-10(6-12)8-18/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,4,16,20,10,3,15,5,17,12,8,19,18,21,9,11,7/rA:21nCCCCCCOCOCOCCCCCCClBrCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrClO4
All Atoms:31
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.04101
Area:524.229
Solvation:-5.06471
Coulombic:-33.9227
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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