| CAS Number | 385808-59-3 |
| Catalog Number | AG00J2IP(AGN-PC-03MPXS) |
| Chemical Name | 7-fluoro-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 7-fluoro-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C9H5FO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12) |
| InChI Key | HHCPFHBJPUWLOB-UHFFFAOYSA-N |
| MDL Number | MFCD11618705 |
| Molecular Formula | C9H5FO3 |
| Molecular Weight | 180.1326 |
| SMILES | O=C(C1=CC2=CC=CC(F)=C2O1)O |
| Synonyms | 7-Fluorobenzofuran-2-carboxylic acid,
385808-59-3,
7-fluoro-1-benzofuran-2-carboxylic acid,
SCHEMBL2896177,
MFCD11618705,
SBB077380,
ZINC37022903,
AKOS005136756,
MCULE-5626281415,
7-fluorobenzo[b]furan-2-carboxylic acid,
AJ-93627,
EN300-87981,
Y-6834,
Z1262237300,
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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 | 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 | 2.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number