Chemical ID: 5778792

CCOc1cc(ccc1[N+](=O)[O-])Cl
Chemical ID:
5778792
Name [?]:
4-chloro-2-ethoxy-1-nitro-benzene
SMILES [?]:
CCOc1cc(ccc1[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C8H8ClNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,5,6,9,4,13,10,11,12,3/E:(11,12)/CRV:10.5/rA:13nCCOCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClNO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-0.091935
Area:361.289
Solvation:-9.12415
Coulombic:-17.3072
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.607
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.75
LogP (Chemaxon):2.61

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