1-Bromo-2-ethoxy-2-methylpropane

CAT: 0926-EBA84015-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EBA84015-01Size:50 mg

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CAS Number

29840-15-1

MDL Number

MFCD20625112

Smiles

CCOC (C) (C) CBr

Molecular Formula

C6H13BrO

Molecular Weight

181.07 g/mol

Controlled

Chemical Information

1-Bromo-2-ethoxy-2-methylpropane

CAS Number	29840-15-1
PubChem CID	18966837
IUPAC Name	1-bromo-2-ethoxy-2-methylpropane
Molecular Formula	C6H13BrO
Molecular Weight	181.07
XLogP	1.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	61

SMILES

CCOC(C)(C)CBr

InChI

InChI=1S/C6H13BrO/c1-4-8-6(2,3)5-7/h4-5H2,1-3H3

InChIKey

UARFJWNTENRZAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29840-15-1

CID: 18966837

Formula: C6H13BrO

MW: 181.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.07
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	180.01498
Monoisotopic Mass	180.01498
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	61.5
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
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UDC05847-01	1-Bromo-2-methanesulfonyl-2-methylpropane
UAA75221-01	1-bromo-2-methoxy-2-methylpropane
QDC10087-01	3-Ethoxy-2-methylpropane-1-sulfonyl chloride
GAA97477	1-Bromo-3-chloro-2-methylpropane
AAA38180-01	3-Bromo-1,1,1-trifluoro-2-methylpropane
UNC73238-01	1-Bromo-3-chloro-2-methoxy-2-methylpropane
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Catalog	Name
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sc-265442	2-Bromo-1-chloro-2-methylpropane
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B685662	1-Bromo-2-methylpropane-d9