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Chemical ID: 5118213
Chemical ID:
5118213
Name [?]:
2-(2-nitrovinyl)naphthalene
SMILES [?]:
c1ccc2cc(ccc2c1)C=C[N+](=O)[O-]
InChi [?]:
InChI=1/C12H9NO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,10,3,7,8,11,12,5,6,9,4,13,14,15/E:(14,15)/CRV:13.5/rA:15nCCCCCCCCCCCCN+OO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;w11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.98062 |
Area: | 356.603 |
Solvation: | -7.93445 |
Coulombic: | -11.3777 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.205 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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