| CAS Number | 98437-41-3 |
| Catalog Number | AG003MH8(AGN-PC-00UQG2) |
| Chemical Name | 5-BROMO-2-HYDROXY-4-METHOXYBENZOIC ACID |
| IUPAC Name | 5-bromo-2-hydroxy-4-methoxybenzoic acid |
| InChI | InChI=1S/C8H7BrO4/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3,10H,1H3,(H,11,12) |
| InChI Key | KXVQEKFWNOZTQX-UHFFFAOYSA-N |
| MDL Number | MFCD05865173 |
| Molecular Formula | C8H7BrO4 |
| Molecular Weight | 247.0428 |
| SMILES | O=C(O)C1=CC(Br)=C(OC)C=C1O |
| Synonyms | 5-Bromo-2-hydroxy-4-methoxybenzoic acid,
98437-41-3,
ACMC-20am5p,
5-bromo-4-methoxysalicylic acid,
SCHEMBL15074288,
CTK8C5832,
DTXSID40584399,
KXVQEKFWNOZTQX-UHFFFAOYSA-N,
ZINC2563917,
MFCD05865173,
AKOS015894357,
FCH1326703,
AS-47455,
OR400493,
TC-168388,
5-Bromo-2-hydroxy-4-methoxybenzoic acid, 97%,
I04-9641,
5-bromo-2-iodo-4-methoxybenzoic acid,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.044g/mol |
| Monoisotopic Mass | 245.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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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