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Chemical ID: 3964473
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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