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Chemical ID: 4470479
Chemical ID:
4470479
Name [?]:
(2,6-dichlorophenyl)methyl benzoate
SMILES [?]:
c1ccc(cc1)C(=O)OCc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2O2/c15-12-7-4-8-13(16)11(12)9-18-14(17)10-5-2-1-3-6-10/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,10,4,11,12,16,7,18,17,8,9/E:(2,3)(5,6)(7,8)(12,13)(15,16)/rA:18nCCCCCCCOOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99533 |
Area: | 462.245 |
Solvation: | -1.56079 |
Coulombic: | -23.7764 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.133 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.91 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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