Chemical ID: 4470479

c1ccc(cc1)C(=O)OCc2c(cccc2Cl)Cl
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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