Chemical ID: 7150808

COc1cccc(c1OC(=O)c2ccccc2Br)C=O
Chemical ID:
7150808
Name [?]:
(2-formyl-6-methoxy-phenyl) 2-bromobenzoate
SMILES [?]:
COc1cccc(c1OC(=O)c2ccccc2Br)C=O
InChi [?]:
InChI=1/C15H11BrO4/c1-19-13-8-4-5-10(9-17)14(13)20-15(18)11-6-2-3-7-12(11)16/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,5,6,13,16,4,19,7,12,17,3,8,10,18,20,11,2,9/rA:20nCOCCCCCCOCOCCCCCCBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s7;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrO4
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.66891
Area:464.652
Solvation:-3.94739
Coulombic:-35.4912
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.149
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.67
LogP (Chemaxon):3.49

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