1-Bromopentan-2-ol

CAT: 0926-BBA81803-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BBA81803-01Size:50 mg

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CAS Number

26818-03-1

MDL Number

MFCD20622149

Smiles

CCCC (CBr) O

Molecular Formula

C5H11BrO

Molecular Weight

167.04 g/mol

Controlled

Chemical Information

1-Bromopentan-2-ol

CAS Number	26818-03-1
PubChem CID	13016769
IUPAC Name	1-bromopentan-2-ol
Molecular Formula	C5H11BrO
Molecular Weight	167.04
XLogP	1.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	39

SMILES

CCCC(CBr)O

InChI

InChI=1S/C5H11BrO/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3

InChIKey

AMCWGHNIYLEOOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26818-03-1

CID: 13016769

Formula: C5H11BrO

MW: 167.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.04
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	165.99933
Monoisotopic Mass	165.99933
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	39.1
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
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