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Chemical ID: 7088737
Chemical ID:
7088737
Name [?]:
N,N-diethyl-4-nitro-aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,11,8,10,6,9,3,12,13,14/E:(1,2)(3,4)(5,6)(7,8)(13,14)/CRV:12.5/rA:14nCCNCCCCCCCCN+OO-/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.24548 |
Area: | 376.458 |
Solvation: | -6.16597 |
Coulombic: | -18.7435 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.23 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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