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Chemical ID: 7088100
Chemical ID:
7088100
Name [?]:
2-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dioxolane
SMILES [?]:
c1cc(c(c(c1)Cl)CC2OCCO2)F
InChi [?]:
InChI=1/C10H10ClFO2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3,10H,4-6H2
InChi Info:
AuxInfo=1/0/N:1,6,2,11,12,8,4,5,3,9,7,14,10,13/E:(4,5)(13,14)/rA:14nCCCCCCClCCOCCOF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s9s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10ClFO2 |
All Atoms: | 24 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.48108 |
Area: | 356.116 |
Solvation: | -3.42182 |
Coulombic: | -21.2079 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 216.636 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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