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Chemical ID: 7088605
Chemical ID:
7088605
Name [?]:
(3-chloro-4-fluoro-phenyl)-(4-chlorophenyl)-methanol
SMILES [?]:
c1cc(ccc1C(c2ccc(c(c2)Cl)F)O)Cl
InChi [?]:
InChI=1/C13H9Cl2FO/c14-10-4-1-8(2-5-10)13(17)9-3-6-12(16)11(15)7-9/h1-7,13,17H
InChi Info:
AuxInfo=1/0/N:1,5,9,2,4,10,13,6,8,3,12,11,7,17,14,15,16/E:(1,2)(4,5)/rA:17cCCCCCCCCCCCCCClFOCl/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: | 7.88627 |
Area: | 436.03 |
Solvation: | -3.01448 |
Coulombic: | -23.6732 |
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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