4- (1-Bromoethyl) oxane

CAT: 0926-GKC95436-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GKC95436-01Size:50 mg

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CAS Number

1506954-36-4

MDL Number

MFCD21776224

Smiles

CC (C1CCOCC1) Br

Molecular Formula

C7H13BrO

Molecular Weight

193.08 g/mol

Controlled

Chemical Information

4-(1-Bromoethyl)oxane

CAS Number	1506954-36-4
PubChem CID	66469460
IUPAC Name	4-(1-bromoethyl)oxane
Molecular Formula	C7H13BrO
Molecular Weight	193.08
XLogP	2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	79

SMILES

CC(C1CCOCC1)Br

InChI

InChI=1S/C7H13BrO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5H2,1H3

InChIKey

WDRQHIKCGHXQRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1506954-36-4

CID: 66469460

Formula: C7H13BrO

MW: 193.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.08
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	192.01498
Monoisotopic Mass	192.01498
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	79
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CDA56482-01	2- (2-Bromoethyl) oxane
YGC03463-01	4- (Bromomethyl) -4- (methanesulfonylmethyl) oxane
GJC24140-01	4- (Bromomethyl) -4- (methoxymethyl) oxane
YGC03103-01	4- (Bromomethyl) -4-[ (methylsulfanyl) methyl]oxane
KWC58083-01	Methyl 4- (bromomethyl) oxane-4-carboxylate
GAD92504-01	4- (Bromomethyl) -4- (prop-2-en-1-yl) oxane
LMB08343-01	1- (Oxane-4-carbonyl) piperidine
BEA86082-01	4- (1-Bromoethyl) benzonitrile
NKD13111-01	2-[1- (Bromomethyl) cyclopropyl]oxane
RDC29256-01	4- (4-Bromobenzoyl) oxane

Catalog	Name
abx180459-01	4-(2-bromoethyl)oxane
OR33542-01	3H-Spiro[1,3-benzothiazole-2,4'-oxane]
OR306349	2',4'-Dihydro-1'H-spiro[oxane-4,3'-quinoline]
OR1075337	2- (9-Bromononyl-1-oxy) tetrahydropyran / 2- ((9-Bromononyl) oxy) oxane
GTR19271617-01	2-{[1-hydroxy-1- (4-methoxyphenyl) propan-2-yl]oxy}-6- (hydroxymethyl) oxane-3,4,5-triol
GTR19271618-01	2-[2-hydroxy-1- (4-methoxyphenyl) propoxy]-6- (hydroxymethyl) oxane-3,4,5-triol
OR87521-01	6'-Bromo-1',2'-dihydrospiro[oxane-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
OR317344	5'-Bromo-1',2'-dihydrospiro[oxane-4,3'-pyrrolo[2,3-b]pyridine]-2'-one
GTR19278628-01	2-{[1,3-dihydroxy-1- (4-hydroxyphenyl) propan-2-yl]oxy}-6- (hydroxymethyl) oxane-3,4,5-triol
GTR19270461-01	2-[ (5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl) methoxy]-6- (hydroxymethyl) oxane-triol