Chemical ID: 5118213

c1ccc2cc(ccc2c1)C=C[N+](=O)[O-]
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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