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Chemical ID: 6165445
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
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Experimental Annotations
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Descriptor Annotations
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