Chemical ID: 6836169

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=O
Chemical ID:
6836169
Name [?]:
4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-benzaldehyde
SMILES [?]:
COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=O
InChi [?]:
InChI=1/C15H12Cl2O3/c1-19-15-7-10(8-18)5-6-14(15)20-9-11-12(16)3-2-4-13(11)17/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,6,7,4,19,10,5,11,12,16,8,3,18,17,20,2,9/E:(3,4)(12,13)(16,17)/rA:20nCOCCCCCCOCCCCCCCClClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;s5;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl2O3
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.67595
Area:495.752
Solvation:-5.71786
Coulombic:-22.7549
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.159
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):4.03

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