| CAS Number | 260249-10-3 |
| Catalog Number | AG00BI2I(AGN-PC-0WAYWY) |
| Chemical Name | Methyl 3-amino-5-bromo-4-hydroxybenzoate |
| IUPAC Name | methyl 3-amino-5-bromo-4-hydroxybenzoate |
| InChI | InChI=1S/C8H8BrNO3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,10H2,1H3 |
| InChI Key | GNQMYGQWBUNZBZ-UHFFFAOYSA-N |
| MDL Number | MFCD22126120 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | COC(=O)c1cc(N)c(c(c1)Br)O |
| Synonyms | methyl 3-amino-5-bromo-4-hydroxybenzoate,
260249-10-3,
SCHEMBL454108,
DTXSID90735157,
GNQMYGQWBUNZBZ-UHFFFAOYSA-N,
KS-000023TG,
ZX-RL003326,
8575AD,
MFCD22126120,
ZINC72319837,
AKOS015991304,
CG-0733,
FCH2298689,
MCULE-7826773967,
OR310066,
FT-0710080,
3-Amino-5-bromo-4-hydroxy-benzoic acid methyl ester,
Benzoic acid, 3-amino-5-bromo-4-hydroxy-, methyl ester,
C8H8BrNO3,
|
| 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