Chemical ID: 7470898

Cc1ccc(cc1Br)C(=O)Oc2c(cccc2OC)C=O
Chemical ID:
7470898
Name [?]:
(2-formyl-6-methoxy-phenyl) 3-bromo-4-methyl-benzoate
SMILES [?]:
Cc1ccc(cc1Br)C(=O)Oc2c(cccc2OC)C=O
InChi [?]:
InChI=1/C16H13BrO4/c1-10-6-7-11(8-13(10)17)16(19)21-15-12(9-18)4-3-5-14(15)20-2/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,16,3,4,6,20,2,5,13,7,17,12,9,8,21,10,18,11/rA:21nCCCCCCCBrCOOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrO4
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.56939
Area:495.877
Solvation:-3.82755
Coulombic:-35.5585
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.176
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.89
LogP (Chemaxon):3.96

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