(3-Bromopropoxy) cyclobutane

CAT: 0926-XZB89236-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-XZB89236-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1247892-36-9

MDL Number

MFCD16684447

Smiles

C1CC (C1) OCCCBr

Molecular Formula

C7H13BrO

Molecular Weight

193.08 g/mol

Controlled

Chemical Information

(3-Bromopropoxy)cyclobutane

CAS Number	1247892-36-9
PubChem CID	62141961
IUPAC Name	3-bromopropoxycyclobutane
Molecular Formula	C7H13BrO
Molecular Weight	193.08
XLogP	2.1
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	71

SMILES

C1CC(C1)OCCCBr

InChI

InChI=1S/C7H13BrO/c8-5-2-6-9-7-3-1-4-7/h7H,1-6H2

InChIKey

IXKZKEUZDBWXGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247892-36-9

CID: 62141961

Formula: C7H13BrO

MW: 193.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.08
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	192.01498
Monoisotopic Mass	192.01498
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	71.3
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
XAA49819-01	(3-Bromopropoxy) cyclohexane
JDC14634-01	3- (3-Bromopropoxy) oxolane
MBA13697-01	3- (3-Bromopropoxy) benzonitrile
DAA24562-01	2- (3-Bromopropoxy) naphthalene
CWB51518-01	[ (3-Bromopropoxy) methyl]cyclopropane
FB63467-01	(3-Bromopropoxy) -tert-butyldimethylsilane
MBA13686-01	4- (3-Bromopropoxy) benzonitrile
DAA35150-01	1- (3-Bromopropoxy) naphthalene
ILB57663-01	1- (3-Bromopropoxy) -3-iodobenzene
MBA14246-01	1- (3-Bromopropoxy) -3-chlorobenzene

Catalog	Name
JH915775	(3-Iodopropyl) cyclobutane
JH915777	(3-Bromo-propyl) -cyclobutane
OR304355	Cyclobutane-1,3-diol
OR1048199-01	3- (hydroxymethyl) cyclobutane-1-carbonitrile
OR1074085-01	Trans-Cyclobutane-1,3-diol
sc-353154	Cyclobutane-1,3-dicarboxylic acid
JH915916	1-Bromo-3-methoxy-cyclobutane
OR1070123-01	Cis-Cyclobutane-1,3-diol
OR923279	3-Chloro-cyclobutane-dicarboxylic acid
OR1073493-01	Trans-Cyclobutane-1,3-dicarboxylic acid