4- (2-Bromoethoxy) benzonitrile

CAT: 0926-MBA14239-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-MBA14239-01Size:1 g

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CAS Number

37142-39-5

MDL Number

MFCD04125745

Smiles

C1=CC (=CC=C1C#N) OCCBr

Molecular Formula

C9H8BrNO

Molecular Weight

226.07 g/mol

Controlled

Chemical Information

4-(2-Bromoethoxy)benzonitrile

CAS Number	37142-39-5
PubChem CID	2452212
IUPAC Name	4-(2-bromoethoxy)benzonitrile
Molecular Formula	C9H8BrNO
Molecular Weight	226.07
XLogP	2.4
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

C1=CC(=CC=C1C#N)OCCBr

InChI

InChI=1S/C9H8BrNO/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,5-6H2

InChIKey

IVKAPFWKLFIYCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37142-39-5

CID: 2452212

Formula: C9H8BrNO

MW: 226.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.07
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	224.97893
Monoisotopic Mass	224.97893
Topological Polar Surface Area	33 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
JCA82556-01	2- (2-Bromoethoxy) benzonitrile
KIA96361	3- (2-bromoethoxy) benzonitrile
XZB11163-01	4- (2-Bromoethoxy) oxane
YXC25327-01	4- (2-Bromoethoxy) thiane
GCA85091	Methyl 4- (2-bromoethoxy) benzenecarboxylate
XAA92176	1- (2-Bromoethoxy) -4-methoxybenzene
UFC04083-01	4- (2-Bromoethoxy) -3-chlorobenzaldehyde
KCD51335-01	4- (2-Bromoethoxy) oxane-4-carbonitrile
MDA54548-01	1- (2-Bromoethoxy) -4-phenoxybenzene
FFA84021-01	1- (2-Bromoethoxy) -4-methanesulfonylbenzene

Catalog	Name
sc-334698A	2- (2-bromoethoxy) benzonitrile
sc-344095A	3- (2-bromoethoxy) benzonitrile
OR94979-01	4- (2-Bromoethoxy) benzonitrile
414396-01	2- (Trifluoromethoxy) benzonitrile
414272-01	2- (Methanesulfonylmethyl) benzonitrile
414265-01	2- (Isopropylamino) benzonitrile
414141-01	2- (Cyclopentylamino) benzonitrile
414122-01	2- (Chloromethyl) benzonitrile
414011-01	2- (Benzylamino) benzonitrile
TRC-D425605-100MG	2-Dibromomethyl-benzonitrile