Chemical ID: 7150678

COc1cc(cc(c1OC(=O)c2cccc(c2)Br)CC=C)C=O
Chemical ID:
7150678
Name [?]:
(2-allyl-4-formyl-6-methoxy-phenyl) 3-bromobenzoate
SMILES [?]:
COc1cc(cc(c1OC(=O)c2cccc(c2)Br)CC=C)C=O
InChi [?]:
InChI=1/C18H15BrO4/c1-3-5-13-8-12(11-20)9-16(22-2)17(13)23-18(21)14-6-4-7-15(19)10-14/h3-4,6-11H,1,5H2,2H3
InChi Info:
AuxInfo=1/0/N:21,1,20,14,19,13,15,6,4,17,22,5,7,12,16,3,8,10,18,23,11,2,9/rA:23nCOCCCCCCOCOCCCCCCBrCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s7;s19;d20;s5;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrO4
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.31327
Area:540.334
Solvation:-4.19509
Coulombic:-36.8716
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.213
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.75
LogP (Chemaxon):4.54

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