Chemical ID: 4950629

CCOc1ccccc1[N+](=O)[O-]
Chemical ID:
4950629
Name [?]:
1-ethoxy-2-nitro-benzene
SMILES [?]:
CCOc1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C8H9NO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,9,4,10,11,12,3/E:(10,11)/CRV:9.5/rA:12nCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-0.741766
Area:325.919
Solvation:-8.88974
Coulombic:-18.446
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.162
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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