2-Bromo-1,3-dimethoxypropane

CAT: 0926-QDA32139-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-QDA32139-01Size:100 mg

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CAS Number

90321-39-4

MDL Number

MFCD20625125

Smiles

COCC (COC) Br

Molecular Formula

C5H11BrO2

Molecular Weight

183.04 g/mol

Controlled

Chemical Information

2-Bromo-1,3-dimethoxypropane

CAS Number	90321-39-4
PubChem CID	13275402
IUPAC Name	2-bromo-1,3-dimethoxypropane
Molecular Formula	C5H11BrO2
Molecular Weight	183.04
XLogP	0.8
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	43

SMILES

COCC(COC)Br

InChI

InChI=1S/C5H11BrO2/c1-7-3-5(6)4-8-2/h5H,3-4H2,1-2H3

InChIKey

IATIPDVXXMRIGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90321-39-4

CID: 13275402

Formula: C5H11BrO2

MW: 183.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.04
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	181.99424
Monoisotopic Mass	181.99424
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	43.7
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
AAA12638-01	1-Bromo-2,2-dimethoxypropane
IBA17072	2-Bromo-1,1-dimethoxypropane
HAA77885-01	1,2-Dimethoxypropane
BGD58711-01	2,3-Dimethoxypropane-1-sulfonamide
AZC96317-01	1,3-Dimethoxypropane-2-sulfonamide
HBA73070-01	1-Chloro-2,2-dimethoxypropane
LKB59328-01	2-Isocyanato-1,1-dimethoxypropane
GDA21695-01	2-Bromo-1- (3-bromo-2-thienyl) -1-ethanone
BEA41971-01	1-Bromo-2,2,3-trimethylbutane
FBA54031-01	1-Bromo-2,3-dimethylbutane

Catalog	Name
sc-222665A	1-Bromo-2,2-dimethoxypropane
415706-01	2-Bromo-1,1-dimethoxypropane
OR96044-01	3-Bromo-1,1-dimethoxypropane
sc-224561	1-Bromo-3-chloro-2,2-dimethoxypropane
OR1065344-01	1,3-Dimethoxypropane
sc-222841	1,2-Dimethoxypropane
HY-W005012-01	1,3-Dibromo-2,2-dimethoxypropane
sc-283300A	2,2-Dimethoxypropane-1,3-diol
OR939103-01	1,3-Dichloro-2,2-dimethoxypropane
904021	2,2‐DIMETHOXYPROPANE