| CAS Number | 60541-85-7 |
| Catalog Number | AG00IAPQ(AGN-PC-0WR1ZZ) |
| Chemical Name | 3-Amino-5-bromo-2-methoxybenzoic acid |
| IUPAC Name | 3-amino-5-bromo-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H8BrNO3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | FSUWFQHUJOPMDR-UHFFFAOYSA-N |
| MDL Number | MFCD28384162 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | COC1=C(C=C(Br)C=C1N)C(O)=O |
| Synonyms | 3-amino-5-bromo-2-methoxybenzoic acid,
60541-85-7,
SCHEMBL19897381,
MFCD28384162,
AKOS023414252,
ZINC169801051,
FCH3160809,
OR52230,
PS-11447,
AS-813/43501526,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number