Chemical ID: 5789143

CCCCCOc1ccccc1[N+](=O)[O-]
Chemical ID:
5789143
Name [?]:
1-nitro-2-pentoxy-benzene
SMILES [?]:
CCCCCOc1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C11H15NO3/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,4,11,8,5,12,7,13,14,15,6/E:(13,14)/CRV:12.5/rA:15nCCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:1.34339
Area:405.549
Solvation:-8.79535
Coulombic:-19.5473
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.62
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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