Chemical ID: 4152483

CCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
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

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Descriptor Annotations

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