1-Bromohexadecane

CAT: 0024-sc-222678Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-222678Size:100 g

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CAS Number

112-82-3

Chemical Information

1-Bromohexadecane

CAS Number	112-82-3
PubChem CID	8213
IUPAC Name	1-bromohexadecane
Molecular Formula	C16H33Br
Molecular Weight	305.34
XLogP	9.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Heavy Atom Count	17
Formal Charge	0
Complexity	123

SMILES

CCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

HNTGIJLWHDPAFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112-82-3

CID: 8213

Formula: C16H33Br

MW: 305.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.34
XLogP3	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Exact Mass	304.17656
Monoisotopic Mass	304.17656
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	123
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-208642	1-bromoheptadecane
sc-258860	1,1,1-Trichlorotrifluoroacetone
sc-476086	1,1,1-Trichloroacetone
sc-472973	1,1,1-Trichlorotrifluoroethane
sc-475337	1,1,1-Trimethoxyoctane
sc-258860A	1,1,1-Trichlorotrifluoroacetone
sc-482760	1,1'-Bicyclo[1,1,1]pentane-1,3-dimethyl alcohol
sc-484400	1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid
sc-477150	1,1':2',1'':2'',1'''-Quaterphenyl
sc-356263	1,1,1-Trifluoroisopropyl acetate