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Chemical ID: 4115740
Chemical ID:
4115740
Name [?]:
2,3,4,5-tetrafluorobenzoyl chloride
SMILES [?]:
c1c(c(c(c(c1F)F)F)F)C(=O)Cl
InChi [?]:
InChI=1/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,11,13,7,10,8,9,12/rA:13nCCCCCCFFFFCOCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7HClF4O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.9772 |
Area: | 312.371 |
Solvation: | -5.83209 |
Coulombic: | -19.4926 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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