Chemical ID: 6594721

c1cc(c(c(c1)Cl)COC(=O)c2cc(ccc2Cl)[N+](=O)[O-])Cl
Chemical ID:
6594721
Name [?]:
(2,6-dichlorophenyl)methyl 2-chloro-5-nitro-benzoate
SMILES [?]:
c1cc(c(c(c1)Cl)COC(=O)c2cc(ccc2Cl)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C14H8Cl3NO4/c15-11-2-1-3-12(16)10(11)7-22-14(19)9-6-8(18(20)21)4-5-13(9)17/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,13,8,14,12,4,3,5,17,10,22,7,18,19,11,20,21,9/E:(2,3)(11,12)(15,16)(20,21)/CRV:18.5/rA:22nCCCCCCClCOCOCCCCCCClN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8Cl3NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.83674
Area:535.36
Solvation:-7.54727
Coulombic:-31.8086
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.576
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.3
LogP (Chemaxon):4.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue