Chemical ID: 5394220

Cc1cccc(c1C)C(=O)OCc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5394220
Name [?]:
(4-nitrophenyl)methyl 2,3-dimethylbenzoate
SMILES [?]:
Cc1cccc(c1C)C(=O)OCc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15NO4/c1-11-4-3-5-15(12(11)2)16(18)21-10-13-6-8-14(9-7-13)17(19)20/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,14,18,15,17,12,2,7,13,16,6,9,19,10,20,21,11/E:(6,7)(8,9)(19,20)/CRV:17.5/rA:21nCCCCCCCCCOOCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.33974
Area:494.801
Solvation:-7.03029
Coulombic:-34.0104
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.295
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):4.26

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Descriptor Annotations

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