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Chemical ID: 7088606
Chemical ID:
7088606
Name [?]:
(3,4-dichlorophenyl)-(4-fluorophenyl)-methanol
SMILES [?]:
c1cc(ccc1C(c2ccc(c(c2)Cl)Cl)O)F
InChi [?]:
InChI=1/C13H9Cl2FO/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H
InChi Info:
AuxInfo=1/0/N:1,5,9,2,4,10,13,6,8,3,11,12,7,15,14,17,16/E:(1,2)(4,5)/rA:17cCCCCCCCCCCCCCClClOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s7;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9Cl2FO |
All Atoms: | 26 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.72048 |
Area: | 430.213 |
Solvation: | -3.03484 |
Coulombic: | -23.5893 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 271.114 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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