| CAS Number | 57681-56-8 |
| Catalog Number | AG00EQB4(AGN-PC-0N4W93) |
| Chemical Name | 3-Bromo-2-methoxythiophene |
| IUPAC Name | 3-bromo-2-methoxythiophene |
| InChI | InChI=1S/C5H5BrOS/c1-7-5-4(6)2-3-8-5/h2-3H,1H3 |
| InChI Key | ROFXCQFBPVZYIH-UHFFFAOYSA-N |
| MDL Number | MFCD22479494 |
| Molecular Formula | C5H5BrOS |
| Molecular Weight | 193.0616 |
| SMILES | COC1=C(Br)C=CS1 |
| Synonyms | 3-bromo-2-methoxythiophene,
57681-56-8,
Thiophene, 3-bromo-2-methoxy-,
2-Methoxy-3-bromothiophene,
SCHEMBL4065361,
ROFXCQFBPVZYIH-UHFFFAOYSA-N,
ZINC38916656,
AKOS026741149,
NE16953,
FT-0753042,
3-bromo-2-methoxy-thiophene,
CID10465187,
|
| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.058g/mol |
| Monoisotopic Mass | 191.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number