Chemical ID: 4146381

CC(C)c1ccc(cc1)OC(=O)c2ccccc2Cl
Chemical ID:
4146381
Name [?]:
(4-isopropylphenyl) 2-chlorobenzoate
SMILES [?]:
CC(C)c1ccc(cc1)OC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H15ClO2/c1-11(2)12-7-9-13(10-8-12)19-16(18)14-5-3-4-6-15(14)17/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,14,17,5,9,6,8,2,4,7,13,18,11,19,12,10/E:(1,2)(7,8)(9,10)/rA:19nCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1687
Area:470.257
Solvation:-1.58771
Coulombic:-22.8278
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.742
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.55
LogP (Chemaxon):4.99

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Descriptor Annotations

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