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Chemical ID: 4117085
Chemical ID:
4117085
Name [?]:
(2,5-difluorophenyl)-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2cc(ccc2F)F
InChi [?]:
InChI=1/C13H8F2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,13,10,4,11,9,14,7,16,15,8/E:(2,3)(4,5)/rA:16nCCCCCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8F2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.91133 |
Area: | 370.81 |
Solvation: | -3.35892 |
Coulombic: | -16.9193 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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