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Chemical ID: 4419784
Chemical ID:
4419784
Name [?]:
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
SMILES [?]:
c1cc(ccc1COC(=O)c2ccc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C14H9Cl3O2/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,12,15,7,6,3,14,11,16,9,19,18,17,10,8/E:(1,2)(3,4)/rA:19nCCCCCCCOCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Cl3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7189 |
Area: | 503.246 |
Solvation: | -1.86223 |
Coulombic: | -22.9493 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.578 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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