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Chemical ID: 4695028
Chemical ID:
4695028
Name [?]:
3-(2,4-difluorophenoxy)butan-2-one
SMILES [?]:
CC(C(=O)C)Oc1ccc(cc1F)F
InChi [?]:
InChI=1/C10H10F2O2/c1-6(13)7(2)14-10-4-3-8(11)5-9(10)12/h3-5,7H,1-2H3
InChi Info:
AuxInfo=1/0/N:5,1,9,8,11,3,2,10,12,7,14,13,4,6/rA:14cCCCOCOCCCCCCFF/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10F2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 2.65722 |
Area: | 349.514 |
Solvation: | -6.08064 |
Coulombic: | -19.7728 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.182 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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