Chemical ID: 5394769

Cc1ccc(c(c1)C)C(=O)OCc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5394769
Name [?]:
(4-nitrophenyl)methyl 2,4-dimethylbenzoate
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)OCc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15NO4/c1-11-3-8-15(12(2)9-11)16(18)21-10-13-4-6-14(7-5-13)17(19)20/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,14,18,15,17,4,7,12,2,6,13,16,5,9,19,10,20,21,11/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21nCCCCCCCCCOOCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;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:5.35428
Area:497.408
Solvation:-7.08093
Coulombic:-34.0026
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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