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Chemical ID: 5789143
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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