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Chemical ID: 4374261
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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