Chemical ID: 6165445

CN(C)c1ccc(cc1C=O)[N+](=O)[O-]
Chemical ID:
6165445
Name [?]:
2-dimethylamino-5-nitro-benzaldehyde
SMILES [?]:
CN(C)c1ccc(cc1C=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H10N2O3/c1-10(2)9-4-3-8(11(13)14)5-7(9)6-12/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,5,8,10,9,7,4,2,12,11,13,14/E:(1,2)(13,14)/CRV:11.5/rA:14nCNCCCCCCCCON+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s7;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.13801
Area:363.156
Solvation:-7.94089
Coulombic:-24.0675
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.187
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.7
LogP (Chemaxon):1.94

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