3-bromo-4-methoxythiophene

CAT: 0127-OR1100709-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1100709-01Size:250 mg

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CAS Number

110545-69-2

Purity

97%

Smiles

COC1=CSC=C1Br

Chemical Information

3-Bromo-4-methoxythiophene

CAS Number	110545-69-2
PubChem CID	13806217
IUPAC Name	3-bromo-4-methoxythiophene
Molecular Formula	C5H5BrOS
Molecular Weight	193.06
XLogP	2.3
Topological Polar Surface Area	37.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	78

SMILES

COC1=CSC=C1Br

InChI

InChI=1S/C5H5BrOS/c1-7-5-3-8-2-4(5)6/h2-3H,1H3

InChIKey

QEZGHSDUCNIDFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110545-69-2

CID: 13806217

Formula: C5H5BrOS

MW: 193.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.06
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	191.92445
Monoisotopic Mass	191.92445
Topological Polar Surface Area	37.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.8
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
OR8075-01	Methyl 4-bromo-3-methoxythiophene-2-carboxylate
OR25051	5-Bromo-4-methoxythiophene-3-carboxylic acid
OR25053	5-bromo-4-methoxythiophene-3-carbonyl chloride
OR1054580	4-Bromo-3-methoxythiophene-2-carboxylic acid
OR48244	2-Bromo-5-methoxythiophene
OR25123	4-Methoxythiophene-3-carboxamide
OR0592	4-Methoxythiophene-3-carbohydrazide
OR81451-01	Methyl 4-bromo-5-methoxythiophene-2-carboxylate
OR6628-01	3-Methoxythiophene
OR6372-01	4-Methoxythiophene-3-carbonyl chloride

Catalog	Name
HCA68156-01	3-Bromo-2-methoxythiophene
DEC10079-01	Methyl 5-bromo-4-methoxythiophene-3-carboxylate
sc-263625	Methyl 4-bromo-3-methoxythiophene-2-carboxylate
CDA13321-01	4-Bromo-5-methoxythiophene-2-carbaldehyde
HCA07077-01	2-Bromo-5-methoxythiophene
YGC02799-01	5-Bromo-4-methoxythiophene-2-carboxylic acid
RG-E140184-01	3-methoxythiophene
sc-262066	4-Methoxythiophene-3-carboxylic acid
RG-E141681-01	4-hydroxy-3-methoxythiophene-2-carbaldehyde
RLD63231-01	2-Methoxythiophene-3-carbonitrile