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Chemical ID: 5162886

Chemical ID:

5162886

Name [?]:

1-nitro-4-(3-phenoxypropoxy)benzene

SMILES [?]:

c1ccc(cc1)OCCCOc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C15H15NO4/c17-16(18)13-7-9-15(10-8-13)20-12-4-11-19-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2

InChi Info:

AuxInfo=1/0/N:1,2,6,9,3,5,14,16,13,17,8,10,15,4,12,18,19,20,7,11/E:(2,3)(5,6)(7,8)(9,10)(17,18)/CRV:16.5/rA:20nCCCCCCOCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅NO₄
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	3.02952
Area:	493.692
Solvation:	-9.31279
Coulombic:	-26.9922

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	273.284
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.79
LogP (Chemaxon):	3.42

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value