Chemical ID: 5496946

c1ccc2c(c1)ccc(c2C=O)OCc3ccccc3Cl
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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