Chemical ID: 7469129

Cc1cc(cc(c1OCC(=O)Oc2ccc3ccccc3c2C=O)C)Br
Chemical ID:
7469129
Name [?]:
(1-formyl-2-naphthyl) 2-(4-bromo-2,6-dimethyl-phenoxy)acetate
SMILES [?]:
Cc1cc(cc(c1OCC(=O)Oc2ccc3ccccc3c2C=O)C)Br
InChi [?]:
InChI=1/C21H17BrO4/c1-13-9-16(22)10-14(2)21(13)25-12-20(24)26-19-8-7-15-5-3-4-6-17(15)18(19)11-23/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,18,19,17,20,15,14,3,5,23,9,2,6,16,4,21,22,13,10,7,26,24,11,8,12/E:(1,2)(9,10)(13,14)/rA:26nCCCCCCCOCCOOCCCCCCCCCCCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s22;d23;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrO4
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0218
Area:574.542
Solvation:-4.34177
Coulombic:-35.2733
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.261
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.15
LogP (Chemaxon):5.45

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