2-Bromocyclooctan-1-one

CAT: 0926-PBA26118-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PBA26118-01Size:50 mg

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CAS Number

39261-18-2

MDL Number

MFCD24448203

Smiles

C1CCCC (=O) C (CC1) Br

Molecular Formula

C8H13BrO

Molecular Weight

205.09 g/mol

Controlled

Chemical Information

2-Bromocyclooctan-1-one

CAS Number	39261-18-2
PubChem CID	566652
IUPAC Name	2-bromocyclooctan-1-one
Molecular Formula	C8H13BrO
Molecular Weight	205.09
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1CCCC(=O)C(CC1)Br

InChI

InChI=1S/C8H13BrO/c9-7-5-3-1-2-4-6-8(7)10/h7H,1-6H2

InChIKey

NOOBPZPTDOIEMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39261-18-2

CID: 566652

Formula: C8H13BrO

MW: 205.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.09
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	204.01498
Monoisotopic Mass	204.01498
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
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
KHC80660-01	2,2-Difluorocyclooctan-1-one
NQC83051-01	2,2-Difluorocyclononan-1-one
NCA70348-01	2,2-Dimethoxycyclobutan-1-one
NBA46113-01	2,2-Dimethoxycyclohexan-1-one
HAA22852-01	2,2-Dimethylcycloheptan-1-one
BAA19214-01	2,2-Dimethylcyclobutan-1-one
FAA77426-01	1,1-Diethoxypropan-2-one
PCA33083-01	1- (2-Hydroxyethyl) -1,2-dihydropyridin-2-one
ZZB20309-01	1- (2-Azidoethyl) -1,2-dihydropyridin-2-one
XAA52624-01	1- (2-Methoxyphenyl) -2,2-dimethylpropan-1-one