Chemical ID: 5021119

c1cc(ccc1OCC(CCl)O)Cl
Chemical ID:
5021119
Name [?]:
1-chloro-3-(4-chlorophenoxy)-propan-2-ol
SMILES [?]:
c1cc(ccc1OCC(CCl)O)Cl
InChi [?]:
InChI=1/C9H10Cl2O2/c10-5-8(12)6-13-9-3-1-7(11)2-4-9/h1-4,8,12H,5-6H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,10,8,3,9,6,11,13,12,7/E:(1,2)(3,4)/rA:13cCCCCCCOCCCClOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s9;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10Cl2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.78176
Area:399.007
Solvation:-4.19341
Coulombic:-24.5604
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.08
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.65
LogP (Chemaxon):2.64

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue