1-Bromo-2-methylpropane-d9

CAT: 0024-sc-504173Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-504173Size:10 mg

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CAS Number

1080497-35-3

Chemical Information

1-Bromo-2-methylpropane-d9

CAS Number	1080497-35-3
PubChem CID	59842559
IUPAC Name	1-bromo-1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
Molecular Formula	C4H9Br
Molecular Weight	146.07
XLogP	2.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	17

SMILES

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

InChI

InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3/i1D3,2D3,3D2,4D

InChIKey

HLVFKOKELQSXIQ-CBZKUFJVSA-N

Chemical Structure

2D Structure

CAS: 1080497-35-3

CID: 59842559

Formula: C4H9Br

MW: 146.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.07
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	145.04525
Monoisotopic Mass	145.04525
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	17.6
Isotope Atom Count	9
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
B685662	1-Bromo-2-methylpropane-d9
B678934	2-Bromo-2-methylpropane-d9
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HY-150519S-01	2-Chloro-2-methylpropane-d9
TRC-B685663-1G	1-Bromo-2-methylpropane-d7
AAA50719-01	2-Bromo-2-methylpropane
PC2438-01	1-Bromo-2-fluoro-2-methylpropane
UDC05847-01	1-Bromo-2-methanesulfonyl-2-methylpropane