Chemical ID: 7150821

CCOc1cc(ccc1OC(=O)c2ccccc2Br)C=O
Chemical ID:
7150821
Name [?]:
(2-ethoxy-4-formyl-phenyl) 2-bromobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2Br)C=O
InChi [?]:
InChI=1/C16H13BrO4/c1-2-20-15-9-11(10-18)7-8-14(15)21-16(19)12-5-3-4-6-13(12)17/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,7,8,5,20,6,13,18,9,4,11,19,21,12,3,10/rA:21nCCOCCCCCCOCOCCCCCCBrCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrO4
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.07033
Area:494.855
Solvation:-4.30103
Coulombic:-35.1897
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.176
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):3.83

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Descriptor Annotations

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