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Chemical ID: 6661882
Chemical ID:
6661882
Name [?]:
2-chloro-1,4-dipentoxy-benzene
SMILES [?]:
CCCCCOc1ccc(c(c1)Cl)OCCCCC
InChi [?]:
InChI=1/C16H25ClO2/c1-3-5-7-11-18-14-9-10-16(15(17)13-14)19-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,3,17,4,16,8,9,5,15,12,7,11,10,13,6,14/rA:19nCCCCCOCCCCCCClOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25ClO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4788 |
Area: | 540.566 |
Solvation: | -3.03535 |
Coulombic: | -17.5694 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 284.821 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.31 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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