Chemical ID: 4260657

c1cc(ccc1OCC(CO)O)Cl
Chemical ID:
4260657
Name [?]:
3-(4-chlorophenoxy)propane-1,2-diol
SMILES [?]:
c1cc(ccc1OCC(CO)O)Cl
InChi [?]:
InChI=1/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,10,8,3,9,6,13,11,12,7/E:(1,2)(3,4)/rA:13cCCCCCCOCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s9;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11ClO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:4.03102
Area:381.202
Solvation:-5.49903
Coulombic:-40.272
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:202.635
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.18
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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