Chemical ID: 4457088

c1ccc2c(c1)cccc2COc3ccc(cc3Cl)C=O
Chemical ID:
4457088
Name [?]:
3-chloro-4-(1-naphthylmethoxy)benzaldehyde
SMILES [?]:
c1ccc2c(c1)cccc2COc3ccc(cc3Cl)C=O
InChi [?]:
InChI=1/C18H13ClO2/c19-17-10-13(11-20)8-9-18(17)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,9,3,15,14,17,20,11,16,5,10,4,18,13,19,21,12/rA:21nCCCCCCCCCCCOCCCCCCClCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.44025
Area:493.25
Solvation:-3.89099
Coulombic:-17.5982
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue