2-Amino-5-bromo-3-methylbenzoic Acid - CAS 206548-13-2
Catalog: |
BB016132 |
Product Name: |
2-Amino-5-bromo-3-methylbenzoic Acid |
CAS: |
206548-13-2 |
Synonyms: |
2-amino-5-bromo-3-methylbenzoic acid; 2-amino-5-bromo-3-methylbenzoic acid |
IUPAC Name: | 2-amino-5-bromo-3-methylbenzoic acid |
Description: | 2-Amino-5-bromo-3-methylbenzoic Acid (CAS# 206548-13-2) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CC1=C(C(=CC(=C1)Br)C(=O)O)N |
InChI: | InChI=1S/C8H8BrNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | RWLPKYJTGUCBQH-UHFFFAOYSA-N |
Boiling Point: | 347.859 °C at 760 mmHg |
Density: | 1.683 g/cm3 |
MDL: | MFCD05664860 |
LogP: | 2.61910 |
Publication Number | Title | Priority Date |
WO-2020225330-A1 | Dhodh inhibitors and their use as antiviral agents | 20190507 |
WO-2020200153-A1 | Glucoside derivative that acts as sglt1 inhibitor and application thereof | 20190329 |
WO-2020021064-A1 | Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4 | 20180726 |
AU-2019309448-A1 | Substituted quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 | 20180726 |
CA-3102326-A1 | Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4 | 20180726 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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