Chemical ID: 4419784

c1cc(ccc1COC(=O)c2ccc(cc2Cl)Cl)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue