Chemical ID: 5705143

COc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3Cl)F
Chemical ID:
5705143
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 2-chloro-4-fluoro-benzoate
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3Cl)F
InChi [?]:
InChI=1/C18H12ClFO5/c1-23-12-3-5-13-10(6-17(21)25-16(13)8-12)9-24-18(22)14-4-2-11(20)7-15(14)19/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,4,19,5,8,22,13,14,7,21,3,6,18,23,12,9,16,24,25,10,17,2,15,11/rA:25nCOCCCCCCCOOCCCOCOCCCCCCClF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClFO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.15946
Area:546.323
Solvation:-5.49861
Coulombic:-48.4819
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:362.736
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):3.84

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