| CAS Number | 887577-86-8 |
| Catalog Number | AG00IFFL(AGN-PC-05IUMS) |
| Chemical Name | 2-Amino-3-bromo-5-methoxybenzoic acid |
| IUPAC Name | 2-amino-3-bromo-5-methoxybenzoic acid |
| InChI | InChI=1S/C8H8BrNO3/c1-13-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | OUVFCKYBUINQFL-UHFFFAOYSA-N |
| MDL Number | MFCD09029134 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | O=C(O)C1=CC(OC)=CC(Br)=C1N |
| Synonyms | 2-Amino-3-bromo-5-methoxybenzoic acid,
887577-86-8,
3-BROMO-5-METHOXYANTHRANILIC ACID,
SCHEMBL17873469,
DTXSID70652111,
MFCD09029134,
ZINC21983646,
AKOS015960811,
CM12355,
MCULE-3953887849,
NE31997,
AJ-79187,
BC204326,
Z1863617760,
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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 | 2 |
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Certificate of Analysis
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