| CAS Number | 63558-84-9 |
| Catalog Number | AG00IB8G(AGN-PC-01WL1Z) |
| Chemical Name | 2-Benzofurancarboxylic acid, 7-chloro- |
| IUPAC Name | 7-chloro-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C9H5ClO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12) |
| InChI Key | RWLLNFLRPKWFIF-UHFFFAOYSA-N |
| MDL Number | MFCD00060515 |
| Molecular Formula | C9H5ClO3 |
| Molecular Weight | 196.5872 |
| SMILES | O=C(C1=CC2=CC=CC(Cl)=C2O1)O |
| Synonyms | 7-Chlorobenzofuran-2-carboxylic acid,
63558-84-9,
7-chloro-1-benzofuran-2-carboxylic acid,
7-chlorobenzo[b]furan-2-carboxylic acid,
SCHEMBL6237938,
SBB077382,
STL220587,
ZINC37034694,
AKOS005136757,
MCULE-1688329178,
NE47316,
2-Benzofurancarboxylic acid, 7-chloro-,
AJ-93632,
ST45244413,
F8889-7017,
Z1367006771,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.586g/mol |
| Monoisotopic Mass | 195.993g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number