Chemical ID: 5676723

Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3)Br
Chemical ID:
5676723
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl 4-bromobenzoate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H13BrO4/c1-11-2-7-15-13(9-17(20)23-16(15)8-11)10-22-18(21)12-3-5-14(19)6-4-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,18,22,19,21,4,12,7,13,2,17,6,20,5,11,8,15,23,9,16,14,10/E:(3,4)(5,6)/rA:23nCCCCCCCCOOCCCOCOCCCCCCBr/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13BrO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3399
Area:526.599
Solvation:-2.82504
Coulombic:-40.4282
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.197
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):4.7

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