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Chemical ID: 4254039
Chemical ID:
4254039
Name [?]:
4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)OCc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2O2/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,12,2,4,13,16,7,10,6,11,3,14,15,18,17,8,9/E:(1,2)(4,5)/rA:18nCCCCCCCOOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07902 |
Area: | 472.014 |
Solvation: | -3.72133 |
Coulombic: | -16.8011 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.133 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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