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Chemical ID: 6144347
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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