4- (4-Bromobutyl) oxane

CAT: 0926-ASB49676-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ASB49676-01Size:50 mg

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CAS Number

1050496-76-8

MDL Number

MFCD20343085

Smiles

C1COCCC1CCCCBr

Molecular Formula

C9H17BrO

Molecular Weight

221.13 g/mol

Controlled

Chemical Information

4-(4-Bromobutyl)oxane

CAS Number	1050496-76-8
PubChem CID	57699701
IUPAC Name	4-(4-bromobutyl)oxane
Molecular Formula	C9H17BrO
Molecular Weight	221.13
XLogP	2.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	89

SMILES

C1COCCC1CCCCBr

InChI

InChI=1S/C9H17BrO/c10-6-2-1-3-9-4-7-11-8-5-9/h9H,1-8H2

InChIKey

WZJKARAZSGMQEV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1050496-76-8

CID: 57699701

Formula: C9H17BrO

MW: 221.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.13
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	220.04628
Monoisotopic Mass	220.04628
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	89.6
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
FB155652-01	4-Bromobutyl acetate
IEA29464-01	(4-Bromobutyl) cyclopropane
DXC58712-01	4- (4-Bromobutyl) morpholine Hydrobromide
IGA60705-01	1- (4-Bromobutyl) -4-chlorobenzene
RDC29256-01	4- (4-Bromobenzoyl) oxane
FB32709-01	N- (4-Bromobutyl) phthalimide
SAA37558-01	(4-Bromobutyl) dimethylamine hydrobromide
GJB98873-01	(4-Bromobutyl) diethylamine hydrobromide
RDC76069-01	4- (4-Methoxybenzoyl) oxane
UFA80872-01	4- (4-Iodophenoxy) oxane

Catalog	Name
OR907988-01	Oxane-4-carbonitrile
TRC-B423958-100MG	4-(chloromethyl)oxane
429040-01	4- (4-Bromobenzyloxy) oxane
OR78299-01	4- (4-Methoxybenzoyl) oxane
OR82206-01	4- (Hydroxymethyl) oxane-4-carbonitrile
OR1015049-01	Sodium Oxane-4-Sulfinate
O1210-01	Oxane-4-carboxylic acid
abx180459-01	4-(2-bromoethyl)oxane
BUP23710-01	4- (Dibenzylamino) oxane-4-carbonitrile
413638-01	2- (4-Bromobutoxy) oxane