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Chemical ID: 4953478
Chemical ID:
4953478
Name [?]:
1-[(4-chlorophenyl)methoxy]-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)OCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13ClO/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,11,15,12,14,4,6,9,2,10,13,5,16,8/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58482 |
Area: | 427.842 |
Solvation: | -2.11123 |
Coulombic: | -10.7237 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.705 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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