Chemical ID: 4419837

Cc1cccc(c1)C(=O)OCc2ccc(cc2)Cl
Chemical ID:
4419837
Name [?]:
(4-chlorophenyl)methyl 3-methylbenzoate
SMILES [?]:
Cc1cccc(c1)C(=O)OCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13ClO2/c1-11-3-2-4-13(9-11)15(17)18-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,13,17,14,16,7,11,2,12,6,15,8,18,9,10/E:(5,6)(7,8)/rA:18nCCCCCCCCOOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.1116
Area:468.986
Solvation:-1.61308
Coulombic:-23.528
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.715
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.73
LogP (Chemaxon):4.36

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