Chemical ID: 6878517

Cc1ccc(cc1C)C(=O)OCc2ccccc2Cl
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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Descriptor Annotations

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