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Chemical ID: 5816469
Chemical ID:
5816469
Name [?]:
2-[(3-chlorophenyl)methoxy]benzaldehyde
SMILES [?]:
c1ccc(c(c1)C=O)OCc2cccc(c2)Cl
InChi [?]:
InChI=1/C14H11ClO2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,6,14,3,16,7,10,11,5,15,4,17,8,9/rA:17nCCCCCCCOOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25627 |
Area: | 441.881 |
Solvation: | -2.79075 |
Coulombic: | -18.1205 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.689 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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