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Chemical ID: 4114935
Chemical ID:
4114935
Name [?]:
3-fluoro-4-(trifluoromethyl)benzaldehyde
SMILES [?]:
c1cc(c(cc1C=O)F)C(F)(F)F
InChi [?]:
InChI=1/C8H4F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,6,3,4,10,9,11,12,13,8/E:(10,11,12)/rA:13nCCCCCCCOFCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4F4O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.75975 |
Area: | 306.799 |
Solvation: | -3.91022 |
Coulombic: | -28.0588 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.11 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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