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Chemical ID: 6882585
Chemical ID:
6882585
Name [?]:
(4-chlorophenyl)methyl 2-chlorobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)OCc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2O2/c15-11-7-5-10(6-8-11)9-18-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,13,15,10,11,14,5,4,7,17,18,8,9/E:(5,6)(7,8)/rA:18nCCCCCCCOOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2O2 |
All Atoms: | 28 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90975 |
Area: | 469.432 |
Solvation: | -1.82605 |
Coulombic: | -23.347 |
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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