1- (cyclohexyloxy) -4-nitrobenzene

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CAS Number

5493-73-2

MDL Number

MFCD17014044

Smiles

C1c (ccc (c1) [N+] (=O) [O-]) OC1CCCCC1

Chemical Information

1-(Cyclohexyloxy)-4-nitrobenzene

CAS Number	5493-73-2
PubChem CID	11962050
IUPAC Name	1-cyclohexyloxy-4-nitrobenzene
Molecular Formula	C12H15NO3
Molecular Weight	221.25
XLogP	3.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	225

SMILES

C1CCC(CC1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2

InChIKey

JZCYGTUBVIJZOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5493-73-2

CID: 11962050

Formula: C12H15NO3

MW: 221.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.25
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	221.10519334
Monoisotopic Mass	221.10519334
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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