Chemical ID: 4374261

COc1c(cc(cc1Cl)C=O)Cl
Chemical ID:
4374261
Name [?]:
3,5-dichloro-4-methoxy-benzaldehyde
SMILES [?]:
COc1c(cc(cc1Cl)C=O)Cl
InChi [?]:
InChI=1/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,10,6,4,8,3,12,9,11,2/E:(2,3)(6,7)(9,10)/rA:12nCOCCCCCCClCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6Cl2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.47399
Area:352.229
Solvation:-3.33174
Coulombic:-15.0356
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.037
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.88
LogP (Chemaxon):2.51

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