Chemical ID: 6424666

Cc1ccc(c(c1)[N+](=O)[O-])c2ccc(cc2)C(=O)OC
Chemical ID:
6424666
Name [?]:
methyl 4-(4-methyl-2-nitro-phenyl)benzoate
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])c2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C15H13NO4/c1-10-3-8-13(14(9-10)16(18)19)11-4-6-12(7-5-11)15(17)20-2/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,12,16,13,15,4,7,2,11,14,5,6,17,8,18,9,10,19/E:(4,5)(6,7)(18,19)/CRV:16.5/rA:20nCCCCCCCN+OO-CCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.60582
Area:458.734
Solvation:-6.86254
Coulombic:-34.2964
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.268
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.1
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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