| CAS Number | 70097-44-8 |
| Catalog Number | AG00IC0C(AGN-PC-0NJABK) |
| Chemical Name | 7-CHLORO-3-HYDROXY-3H-ISOBENZOFURAN-1-ONE |
| IUPAC Name | 7-chloro-3-hydroxy-3H-2-benzofuran-1-one |
| InChI | InChI=1S/C8H5ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,7,10H |
| InChI Key | OPBSRGHVNRSYSR-UHFFFAOYSA-N |
| MDL Number | MFCD17926369 |
| Molecular Formula | C8H5ClO3 |
| Molecular Weight | 184.5765 |
| SMILES | OC1OC(=O)C2=C1C=CC=C2Cl |
| Synonyms | 7-Chloro-3-hydroxyisobenzofuran-1(3H)-one,
7-CHLORO-3-HYDROXY-3H-ISOBENZOFURAN-1-ONE,
70097-44-8,
7-chloro-3-hydroxy-2-benzofuran-1(3H)-one,
SCHEMBL5426438,
OPBSRGHVNRSYSR-UHFFFAOYSA-N,
MFCD17926369,
AKOS022851227,
FCH1189874,
AS-37277,
AX8266773,
A-1789,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.575g/mol |
| Monoisotopic Mass | 183.993g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number