Chemical ID: 6836802

c1ccc(cc1)COC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
Chemical ID:
6836802
Name [?]:
benzyl 2-chloro-5-nitro-benzoate
SMILES [?]:
c1ccc(cc1)COC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H10ClNO4/c15-13-7-6-11(16(18)19)8-12(13)14(17)20-9-10-4-2-1-3-5-10/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,15,12,7,4,13,11,16,9,17,18,10,19,20,8/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20nCCCCCCCOCOCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s13;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO4
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.42698
Area:482.648
Solvation:-7.63922
Coulombic:-31.6763
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.686
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.06
LogP (Chemaxon):3.84

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Descriptor Annotations

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