Methyl 4-Amino-2-bromobenzoate - CAS 98545-64-3
Catalog: |
BB042181 |
Product Name: |
Methyl 4-Amino-2-bromobenzoate |
CAS: |
98545-64-3 |
Synonyms: |
4-amino-2-bromobenzoic acid methyl ester; methyl 4-amino-2-bromobenzoate |
IUPAC Name: | methyl 4-amino-2-bromobenzoate |
Description: | Methyl 4-Amino-2-bromobenzoate (CAS# 98545-64-3) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)N)Br |
InChI: | InChI=1S/C8H8BrNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3 |
InChI Key: | KZOQVTUWEHNNMH-UHFFFAOYSA-N |
Boiling Point: | 345.2 ℃ at 760 mmHg |
Density: | 1.578 g/cm3 |
LogP: | 2.39910 |
Publication Number | Title | Priority Date |
WO-2020247418-A1 | Compounds for the treatment of kinase-dependent disorders | 20190604 |
WO-2020126952-A1 | Imidazopyrazine derivatives as antibacterial agents | 20181217 |
WO-2020126953-A1 | Novel imidazopyrazine derivatives as antibacterials | 20181217 |
WO-2020126954-A1 | Novel imidazopyrazine derivatives | 20181217 |
WO-2020126956-A1 | Imidazopyrazine derivatives as antibacterial agents | 20181217 |
Complexity: | 174 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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