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Chemical ID: 4146381
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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