1-Bromooctane-d17

CAT: 0024-sc-224581Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-224581Size:500 mg

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CAS Number

126840-36-6

Chemical Information

1-Bromo(~2~H_17_)octane

CAS Number	126840-36-6
PubChem CID	16213278
IUPAC Name	1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctane
Molecular Formula	C8H17Br
Molecular Weight	210.23
XLogP	4.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Heavy Atom Count	9
Formal Charge	0
Complexity	43

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br

InChI

InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2

InChIKey

VMKOFRJSULQZRM-OISRNESJSA-N

Chemical Structure

2D Structure

CAS: 126840-36-6

CID: 16213278

Formula: C8H17Br

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	209.15807
Monoisotopic Mass	209.15807
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	43.8
Isotope Atom Count	17
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