2- (Dodecyloxy) benzonitrile

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CAT#:0024-sc-237869Size:1 mL

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CAS Number

186029-18-5

Chemical Information

2-(Dodecyloxy)benzonitrile

CAS Number	186029-18-5
PubChem CID	4694748
IUPAC Name	2-dodecoxybenzonitrile
Molecular Formula	C19H29NO
Molecular Weight	287.4
XLogP	7.2
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	21
Formal Charge	0
Complexity	281

SMILES

CCCCCCCCCCCCOC1=CC=CC=C1C#N

InChI

InChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-21-19-15-12-11-14-18(19)17-20/h11-12,14-15H,2-10,13,16H2,1H3

InChIKey

DDUJCCRSCBUHMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186029-18-5

CID: 4694748

Formula: C19H29NO

MW: 287.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.4
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	287.224914549
Monoisotopic Mass	287.224914549
Topological Polar Surface Area	33 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	281
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-481162	4-Dodecyloxy-2-hydroxybenzophenone
sc-486183	1-Dodecyloxy-4-nitrobenzene
sc-340329A	2- (methoxymethyl) benzonitrile
sc-340274	2- (ethoxymethyl) benzonitrile
sc-340320	2- (isopropoxymethyl) benzonitrile
sc-321728A	2-Dimethylamino-benzonitrile
sc-340274A	2- (ethoxymethyl) benzonitrile
sc-265298	2- (methylthio) benzonitrile
sc-259386	2- (Trifluoromethoxy) benzonitrile
sc-223291	2- (Trifluoromethyl) benzonitrile

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