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Chemical ID: 5496946
Chemical ID:
5496946
Name [?]:
2-[(2-chlorophenyl)methoxy]naphthalene-1-carbaldehyde
SMILES [?]:
c1ccc2c(c1)ccc(c2C=O)OCc3ccccc3Cl
InChi [?]:
InChI=1/C18H13ClO2/c19-17-8-4-2-6-14(17)12-21-18-10-9-13-5-1-3-7-15(13)16(18)11-20/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,17,2,18,6,16,3,19,7,8,11,14,5,15,4,10,20,9,21,12,13/rA:21nCCCCCCCCCCCOOCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25631 |
Area: | 479.738 |
Solvation: | -3.73714 |
Coulombic: | -17.1484 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.747 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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