Chemical ID: 6874760

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)OC
Chemical ID:
6874760
Name [?]:
methyl 2-[2-(2-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)OC
InChi [?]:
InChI=1/C19H15ClO5/c1-11-7-8-15-13(9-11)17(22)19(24-10-16(21)23-2)18(25-15)12-5-3-4-6-14(12)20/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,15,16,14,17,3,4,7,21,2,13,6,18,5,22,8,11,10,19,23,9,24,20,12/rA:25nCCCCCCCCOCCOCCCCCCClOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClO5
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.41905
Area:541.648
Solvation:-4.12216
Coulombic:-46.1641
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.772
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):3.93

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