6-Bromo-1-hexanol

CAT: 0024-sc-239090ASize: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239090ASize:100 g

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CAS Number

4286-55-9

Chemical Information

6-Bromo-1-hexanol

CAS Number	4286-55-9
PubChem CID	77970
IUPAC Name	6-bromohexan-1-ol
Molecular Formula	C6H13BrO
Molecular Weight	181.07
XLogP	1.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	8
Formal Charge	0
Complexity	39

SMILES

C(CCCBr)CCO

InChI

InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2

InChIKey

FCMCSZXRVWDVAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4286-55-9

CID: 77970

Formula: C6H13BrO

MW: 181.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.07
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	180.01498
Monoisotopic Mass	180.01498
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	39.5
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
sc-504288	6-Bromo-4-methyl-1-hexanol
sc-299944	6-Amino-1-hexanol
sc-487088	6-Dimethylamino-1-hexanol
sc-210526	6-Maleimido-1-hexanol
sc-486692	6-Benzylamino-1-hexanol
sc-233641	6-Phenyl-1-hexanol
sc-252298	6-Mercapto-1-hexanol
sc-299944A	6-Amino-1-hexanol
sc-239085	6- (Allyloxycarbonylamino) -1-hexanol
sc-252298A	6-Mercapto-1-hexanol