1-Bromooctan-2-one

CAT: 0926-BBA81808-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BBA81808-01Size:50 mg

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CAS Number

26818-08-6

MDL Number

MFCD17013691

Smiles

CCCCCCC (=O) CBr

Molecular Formula

C8H15BrO

Molecular Weight

207.11 g/mol

Controlled

Chemical Information

1-Bromooctan-2-one

CAS Number	26818-08-6
PubChem CID	3015323
IUPAC Name	1-bromooctan-2-one
Molecular Formula	C8H15BrO
Molecular Weight	207.11
XLogP	3.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	91

SMILES

CCCCCCC(=O)CBr

InChI

InChI=1S/C8H15BrO/c1-2-3-4-5-6-8(10)7-9/h2-7H2,1H3

InChIKey

YVQBIERXAUCGHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26818-08-6

CID: 3015323

Formula: C8H15BrO

MW: 207.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.11
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	206.03063
Monoisotopic Mass	206.03063
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	91.3
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
FCA97469-01	3-Bromooxan-2-one
ZAA06863-01	2-Bromobutan-1-ol
KHC80660-01	2,2-Difluorocyclooctan-1-one
NQC83051-01	2,2-Difluorocyclononan-1-one
NCA70348-01	2,2-Dimethoxycyclobutan-1-one
BAA19214-01	2,2-Dimethylcyclobutan-1-one
NBA46113-01	2,2-Dimethoxycyclohexan-1-one
HAA22852-01	2,2-Dimethylcycloheptan-1-one
FAA77426-01	1,1-Diethoxypropan-2-one
PCA33083-01	1- (2-Hydroxyethyl) -1,2-dihydropyridin-2-one

Catalog	Name
OR1012092-01	8-Bromooctan-1-ol
OR1049534-01	8-Bromooctan-1-amine hydrobromide
OR1048962-01	2,2-Dimethoxycyclohexan-1-one
OR304354	2,2-Dimethylcyclobutan-1-one
D7470-01	2,2-Dimethylcyclopentan-1-One
PC450061	2,2-Difluorocyclooctan-1-one
PC450506	2,2-Difluorocycloheptan-1-one
PC450496	1,1-Difluorobutan-2-one
OR95450-01	1,2-Diphenylbutan-1-one
RG-D090355-01	1,1-Dichloropropan-2-One