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Chemical ID: 7469125
Chemical ID:
7469125
Name [?]:
(1-formyl-2-naphthyl) 2-(4-bromo-2-chloro-phenoxy)acetate
SMILES [?]:
c1ccc2c(c1)ccc(c2C=O)OC(=O)COc3ccc(cc3Cl)Br
InChi [?]:
InChI=1/C19H12BrClO4/c20-13-6-8-18(16(21)9-13)24-11-19(23)25-17-7-5-12-3-1-2-4-14(12)15(17)10-22/h1-10H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,20,8,19,22,11,16,5,21,4,10,23,9,18,14,25,24,12,15,17,13/rA:25nCCCCCCCCCCCOOCOCOCCCCCCClBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12BrClO4 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38641 |
Area: | 569.337 |
Solvation: | -4.84702 |
Coulombic: | -34.9624 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 419.653 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.32 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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