| CAS Number | 111964-21-7 |
| Catalog Number | AG0083SM(AGN-PC-00KINR) |
| Chemical Name | 3-Benzofurancarbonylchloride |
| IUPAC Name | 1-benzofuran-3-carbonyl chloride |
| InChI | InChI=1S/C9H5ClO2/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H |
| InChI Key | YUHWSRVMUQSCNL-UHFFFAOYSA-N |
| MDL Number | MFCD11841066 |
| Molecular Formula | C9H5ClO2 |
| Molecular Weight | 180.5878 |
| SMILES | ClC(C1C2=C(C=CC=C2)OC=1)=O |
| Synonyms | Benzo[b]furan-3-carbonyl chloride,
111964-21-7,
1-Benzofuran-3-carbonyl chloride,
3-Benzofurancarbonylchloride,
Benzofuran-3-carbonyl chloride,
benzofuran-3-carboxylic acid chloride,
ACMC-1CGRG,
SCHEMBL87682,
CTK0H2869,
DTXSID50515518,
YUHWSRVMUQSCNL-UHFFFAOYSA-N,
SBB089723,
ZINC34936254,
AKOS013154324,
NE51768,
RP03209,
DB-010825,
FT-0733586,
Y7057,
J-519742,
I01-17093,
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| Complexity | 193 |
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number