Chemical ID: 6144347

CCCCOc1ccc(cc1)[N+](=O)[O-]
Chemical ID:
6144347
Name [?]:
1-butoxy-4-nitro-benzene
SMILES [?]:
CCCCOc1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H13NO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,4,9,6,12,13,14,5/E:(4,5)(6,7)(12,13)/CRV:11.5/rA:14nCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:2.34953
Area:387.628
Solvation:-7.34116
Coulombic:-19.5649
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.215
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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