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Chemical ID: 6659628
Chemical ID:
6659628
Name [?]:
2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride
SMILES [?]:
C(C(=O)Cl)Oc1c(c(c(c(c1F)F)F)F)F
InChi [?]:
InChI=1/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,7,11,6,4,14,15,13,16,12,3,5/E:(4,5)(6,7)(11,12)(13,14)/rA:16nCCOClOCCCCCCFFFFF/rB:s1;d2;s2;s1;s5;s6;d7;s8;d9;d6s10;s11;s10;s9;s8;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H2ClF5O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.08651 |
Area: | 369.279 |
Solvation: | -8.14548 |
Coulombic: | -28.9114 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.545 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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