Chemical ID: 6882585

c1ccc(c(c1)C(=O)OCc2ccc(cc2)Cl)Cl
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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