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Chemical ID: 4222836
Chemical ID:
4222836
Name [?]:
1-[3-(2-chlorophenoxy)propoxy]-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)OCCCOc2ccccc2Cl
InChi [?]:
InChI=1/C16H17ClO3/c1-18-13-7-9-14(10-8-13)19-11-4-12-20-16-6-3-2-5-15(16)17/h2-3,5-10H,4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,11,18,15,4,8,5,7,10,12,3,6,19,14,20,2,9,13/E:(7,8)(9,10)/rA:20nCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82739 |
Area: | 509.89 |
Solvation: | -4.91986 |
Coulombic: | -23.7271 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.757 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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