Chemical ID: 4115132

c1cc(c(cc1C(F)(F)F)CO)Cl
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

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Descriptor Annotations

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