Chemical ID: 6882598

Cc1ccc(cc1)COC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
Chemical ID:
6882598
Name [?]:
p-tolylmethyl 2-chloro-5-nitro-benzoate
SMILES [?]:
Cc1ccc(cc1)COC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H12ClNO4/c1-10-2-4-11(5-3-10)9-21-15(18)13-8-12(17(19)20)6-7-14(13)16/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,15,16,13,8,2,5,14,12,17,10,18,19,11,20,21,9/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:21nCCCCCCCCOCOCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO4
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.03527
Area:507.956
Solvation:-7.66363
Coulombic:-31.4259
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.713
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):4.31

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Descriptor Annotations

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