Chemical ID: 5184843

CCCCOP(=O)(OCCCC)Oc1cccc(c1)[N+](=O)[O-]
Chemical ID:
5184843
Name [?]:
1-dibutoxyphosphoryloxy-3-nitro-benzene
SMILES [?]:
CCCCOP(=O)(OCCCC)Oc1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H22NO6P/c1-3-5-10-19-22(18,20-11-6-4-2)21-14-9-7-8-13(12-14)15(16)17/h7-9,12H,3-6,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,3,10,16,17,15,4,9,19,18,14,20,21,22,7,5,8,13,6/E:(1,2)(3,4)(5,6)(10,11)(16,17)(19,20)/CRV:15.5/rA:22nCCCCOPOOCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s6;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22NO6P
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.07572
Area:553.351
Solvation:-7.75806
Coulombic:-51.4036
Bond Count [?]
All:22
Single:17
Double:5
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:331.301
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.7
LogP (Chemaxon):3.49

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Descriptor Annotations

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