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Chemical ID: 4115132
Chemical ID:
4115132
Name [?]:
[2-chloro-5-(trifluoromethyl)phenyl]methanol
SMILES [?]:
c1cc(c(cc1C(F)(F)F)CO)Cl
InChi [?]:
InChI=1/C8H6ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,4,6,3,7,13,8,9,10,12/E:(10,11,12)/rA:13nCCCCCCCFFFCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6ClF3O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0902 |
Area: | 334.526 |
Solvation: | -2.27293 |
Coulombic: | -36.7579 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 210.581 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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