Chemical ID: 3964473

c1cc(ccc1C=O)OCCCl
Chemical ID:
3964473
Name [?]:
4-(2-chloroethoxy)benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)OCCCl
InChi [?]:
InChI=1/C9H9ClO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,10,7,6,3,12,8,9/E:(1,2)(3,4)/rA:12nCCCCCCCOOCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.14842
Area:359.862
Solvation:-3.84813
Coulombic:-14.7729
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:184.619
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.4
LogP (Chemaxon):2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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