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Chemical ID: 4117346
Chemical ID:
4117346
Name [?]:
4-(trifluoromethyl)benzoyl chloride
SMILES [?]:
c1cc(ccc1C(=O)Cl)C(F)(F)F
InChi [?]:
InChI=1/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,6,3,7,10,9,11,12,13,8/E:(1,2)(3,4)(10,11,12)/rA:13nCCCCCCCOClCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4ClF3O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.38907 |
Area: | 334.009 |
Solvation: | -1.96115 |
Coulombic: | -29.8393 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.565 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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