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Chemical ID: 6847005
Chemical ID:
6847005
Name [?]:
2-[2-(2-chlorophenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)[O-])C
InChi [?]:
InChI=1/C19H15ClO5/c1-10-7-11(2)17-13(8-10)16(23)19(24-9-15(21)22)18(25-17)12-5-3-4-6-14(12)20/h3-8H,9H2,1-2H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,25,15,16,14,17,3,7,21,2,4,13,6,18,22,8,5,11,10,19,23,24,9,20,12/E:(21,22)/rA:25nCCCCCCCCOCCOCCCCCCClOCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClO5- |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.0115 |
Area: | 528.823 |
Solvation: | -45.2321 |
Coulombic: | -27.9375 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.764 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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