| CAS Number | 1393561-25-5 |
| Catalog Number | AG01BH9L(AGN-PC-0WOTZH) |
| Chemical Name | 6-fluoro-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 6-fluoro-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H5FO3/c10-5-1-2-6-7(9(11)12)4-13-8(6)3-5/h1-4H,(H,11,12) |
| InChI Key | ATVWVNCCIAXRMZ-UHFFFAOYSA-N |
| MDL Number | MFCD22544066 |
| Molecular Formula | C9H5FO3 |
| Molecular Weight | 180.1326 |
| SMILES | FC1=CC2=C(C(=CO2)C(=O)O)C=C1 |
| Synonyms | 1393561-25-5,
6-Fluorobenzofuran-3-carboxylic acid,
6-FLUORO-1-BENZOFURAN-3-CARBOXYLIC ACID,
ZINC95764195,
AKOS022911207,
AB77115,
Z1948933242,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.134g/mol |
| Monoisotopic Mass | 180.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number