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Chemical ID: 6665054

Chemical ID:

6665054

Name [?]:

1-nitro-4-(2-phenoxyethoxy)benzene

SMILES [?]:

c1ccc(cc1)OCCOc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H13NO4/c16-15(17)12-6-8-14(9-7-12)19-11-10-18-13-4-2-1-3-5-13/h1-9H,10-11H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,13,15,12,16,8,9,14,4,11,17,18,19,7,10/E:(2,3)(4,5)(6,7)(8,9)(16,17)/CRV:15.5/rA:19nCCCCCCOCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃NO₄
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	2.07867
Area:	461.944
Solvation:	-9.46993
Coulombic:	-26.8145

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	259.257
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.16
LogP (Chemaxon):	3.36

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