Chemical ID: 6692992

CCOP(=O)(OCC)Oc1ccc(cc1)N(=O)=O
Chemical ID:
6692992
Name [?]:
1-diethoxyphosphoryloxy-4-nitro-benzene
SMILES [?]:
CCOP(=O)(OCC)Oc1ccc(cc1)N(=O)=O
InChi [?]:
InChI=1/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,7,12,14,11,15,13,10,16,17,18,5,3,6,9,4/E:(1,2)(3,4)(5,6)(7,8)(12,13)(15,16)/CRV:11.5/rA:18nCCOPOOCCOCCCCCCNOO/rB:s1;s2;s3;d4;s4;s6;s7;s4;s9;s10;d11;s12;d13;d10s14;s13;d16;d16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14NO6P
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.47233
Area:446.193
Solvation:-7.68249
Coulombic:-50.0962
Bond Count [?]
All:18
Single:12
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.195
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.97
LogP (Chemaxon):1.76

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Descriptor Annotations

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