| CAS Number | 146781-23-9 |
| Catalog Number | AG001EBU(AGN-PC-03YXS1) |
| Chemical Name | Benzoic acid, 2,5-difluoro-4-hydroxy- |
| IUPAC Name | 2,5-difluoro-4-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4F2O3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,(H,11,12) |
| InChI Key | LKJAHLFAORUKHO-UHFFFAOYSA-N |
| MDL Number | MFCD04112525 |
| Molecular Formula | C7H4F2O3 |
| Molecular Weight | 174.1017 |
| SMILES | FC1=C(C(=O)O)C=C(C(=C1)O)F |
| Synonyms | 2,5-difluoro-4-hydroxybenzoic acid,
146781-23-9,
Benzoic acid, 2,5-difluoro-4-hydroxy-,
ACMC-20n4y9,
SCHEMBL4367594,
CTK0B2316,
DTXSID60630620,
LKJAHLFAORUKHO-UHFFFAOYSA-N,
ZINC2526729,
MFCD04112525,
AKOS016038577,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.103g/mol |
| Monoisotopic Mass | 174.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number