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Chemical ID: 5021119
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
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Experimental Annotations
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Descriptor Annotations
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