1- (cyclohexylmethoxy) -4-nitrobenzene

CAT: 0127-OR1093820-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093820-01Size:250 mg

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CAS Number

76253-40-2

Purity

97%

Smiles

O (CC1CCCCC1) c1ccc (cc1) [N+] (=O) [O-]

Chemical Information

1-(Cyclohexylmethoxy)-4-nitrobenzene

CAS Number	76253-40-2
PubChem CID	12830820
IUPAC Name	1-(cyclohexylmethoxy)-4-nitrobenzene
Molecular Formula	C13H17NO3
Molecular Weight	235.28
XLogP	4.1
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	238

SMILES

C1CCC(CC1)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2

InChIKey

QXWRRDIEOFYNFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76253-40-2

CID: 12830820

Formula: C13H17NO3

MW: 235.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.28
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	235.12084340
Monoisotopic Mass	235.12084340
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	238
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
PC1025786-01	1- (cyclohexylmethoxy) -4-fluorobenzene
OR1093819-01	4- (Cyclohexylmethoxy) benzenamine
OR1098490	1- (isopropylsulfonyl) -4-nitrobenzene
OR1043795-01	1- (Methoxymethyl) -4-nitrobenzene
OR1054619-01	1- (Cyclopropylsulfonyl) -4-nitrobenzene
OR1036350-01	1- (Dibromomethyl) -4-nitrobenzene
OR1092796	1- (cyclohexyloxy) -4-nitrobenzene
OR6672-01	1-Benzyloxy-4-nitrobenzene
OR33416-01	1-Ethenyl-4-nitrobenzene
OR914346-01	1-Isopropoxy-4-nitrobenzene

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