| CAS Number | 39131-44-7 |
| Catalog Number | AG00CKJ2(AGN-PC-00IZ9E) |
| Chemical Name | 5-(bromomethyl)-2-furaldehyde |
| EC Number | 254-308-7 |
| IUPAC Name | 5-(bromomethyl)furan-2-carbaldehyde |
| InChI | InChI=1S/C6H5BrO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2 |
| InChI Key | HJYHSCTYDCMXPG-UHFFFAOYSA-N |
| MDL Number | MFCD15832881 |
| Molecular Formula | C6H5BrO2 |
| Molecular Weight | 189.0067 |
| SMILES | O=CC1=CC=C(CBr)O1 |
| Synonyms | 5-(Bromomethyl)-2-furaldehyde,
39131-44-7,
5-(bromomethyl)furan-2-carbaldehyde,
5-(bromomethyl)furan-2-carboxaldehyde,
EINECS 254-308-7,
5-Bromomethylfurfural,
5-(bromomethyl)furfural,
SCHEMBL1555508,
CTK1C3454,
DTXSID30192381,
HJYHSCTYDCMXPG-UHFFFAOYSA-N,
ZINC38613704,
DA-06225,
FT-0740505,
5- -2-FURALDEHYDE,
C6-H5-Br-O2,
CID11970491,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.008g/mol |
| Monoisotopic Mass | 187.947g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number