| CAS Number | 40620-00-6 |
| Catalog Number | AG019VTA(AGN-PC-0LGF34) |
| Chemical Name | 3-chloro-1-benzofuran-2-carbaldehyde |
| IUPAC Name | 3-chloro-1-benzofuran-2-carbaldehyde |
| InChI | InChI=1S/C9H5ClO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H |
| InChI Key | LCUJMIJZIBBAAX-UHFFFAOYSA-N |
| MDL Number | MFCD01917021 |
| Molecular Formula | C9H5ClO2 |
| Molecular Weight | 180.5878 |
| SMILES | ClC1C2=C(C=CC=C2)OC=1C=O |
| Synonyms | 3-chloro-1-benzofuran-2-carbaldehyde,
40620-00-6,
3-Chlorobenzofuran-2-carboxaldehyde,
3-chlorobenzo[b]furan-2-carbaldehyde,
3-chlorobenzofuran-2-carbaldehyde,
AC1NHAFH,
SCHEMBL1253554,
CTK1D4425,
DTXSID20406106,
LCUJMIJZIBBAAX-UHFFFAOYSA-N,
3-Chloro-2-benzofurancarboxaldehyde,
ZINC5948692,
SBB039204,
2-Benzofurancarboxaldehyde, 3-chloro-,
AKOS000263871,
MCULE-7286148891,
CID4737020,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.587g/mol |
| Monoisotopic Mass | 179.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number