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Chemical ID: 4152483
Chemical ID:
4152483
Name [?]:
ethyl 2-[3-(2-chlorophenyl)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
InChi [?]:
InChI=1/C19H15ClO5/c1-2-23-18(21)11-24-12-7-8-14-17(9-12)25-10-15(19(14)22)13-5-3-4-6-16(13)20/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,22,20,23,9,10,13,15,6,8,19,11,16,24,12,4,17,25,5,18,3,7,14/rA:25nCCOCOCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s11s16;d17;s16;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24701 |
Area: | 564.586 |
Solvation: | -4.86763 |
Coulombic: | -43.3461 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.772 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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