Dodecyl 2-nitrophenyl ether

CAT: 0024-sc-252765CSize: 1 LDry Ice: NoHazardous: No

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CAT#:0024-sc-252765CSize:1 L

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CAS Number

83027-71-8

Chemical Information

1-(Dodecyloxy)-2-nitrobenzene

CAS Number	83027-71-8
PubChem CID	545589
IUPAC Name	1-dodecoxy-2-nitrobenzene
Molecular Formula	C18H29NO3
Molecular Weight	307.4
XLogP	7.3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	22
Formal Charge	0
Complexity	278

SMILES

CCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-13-16-22-18-15-12-11-14-17(18)19(20)21/h11-12,14-15H,2-10,13,16H2,1H3

InChIKey

DXCTUMLYTQODSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83027-71-8

CID: 545589

Formula: C18H29NO3

MW: 307.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.4
XLogP3	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	307.21474379
Monoisotopic Mass	307.21474379
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	278
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
sc-486335	Dodecyl ether
sc-227961	Dodecyl [2- (trifluoromethyl) phenyl] ether
sc-230602	2-Nitrophenyl octyl ether
sc-251793	2-Nitrophenyl phenyl ether
sc-230602A	2-Nitrophenyl octyl ether
sc-206415	2-Bromoethyl-4-nitrophenyl Ether
sc-213681	2- (Bromoethyl-d4) -4-nitrophenyl Ether
sc-232927	4-Nitrophenyl phenyl ether
sc-219454	O-Nitrophenyl Benzyl Ether
sc-232926	4-Nitrophenyl nonyl ether

Catalog	Name
GW8426-5ml	2-Nitrophenyl dodecyl ether
OR1013073-01	Dodecyl 2-Nitrophenyl Ether
OR1043927-01	4-Nitrophenyl dodecyl ether
OR1013077-01	Dodecyl Ether
OR1079649-01	Dodecyl Vinyl Ether
EN57705-01	2-Nitrophenyl hexyl ether
T40702-01	Decaethylene glycol dodecyl ether
TRC-B684260-25G	2-Bromoethyl-4-nitrophenyl Ether
OR1044254-01	Sodium dodecyl diphenyl ether disulfonate
OR1051418-01	Tert-Butyl n-dodecyl ether