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Chemical ID: 6878517
Chemical ID:
6878517
Name [?]:
(2-chlorophenyl)methyl 3,4-dimethylbenzoate
SMILES [?]:
Cc1ccc(cc1C)C(=O)OCc2ccccc2Cl
InChi [?]:
InChI=1/C16H15ClO2/c1-11-7-8-13(9-12(11)2)16(18)19-10-14-5-3-4-6-15(14)17/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,15,16,14,17,3,4,6,12,2,7,5,13,18,9,19,10,11/rA:19nCCCCCCCCCOOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClO2 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5508 |
Area: | 476.635 |
Solvation: | -1.36503 |
Coulombic: | -23.6061 |
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: | 5.16 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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