5-Amino-2-bromo-4-methylbenzoic Acid - CAS 745048-63-9
Catalog: |
BB035099 |
Product Name: |
5-Amino-2-bromo-4-methylbenzoic Acid |
CAS: |
745048-63-9 |
Synonyms: |
5-amino-2-bromo-4-methylbenzoic acid; 5-amino-2-bromo-4-methylbenzoic acid |
IUPAC Name: | 5-amino-2-bromo-4-methylbenzoic acid |
Description: | 5-Amino-2-bromo-4-methylbenzoic Acid (CAS# 745048-63-9) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CC1=C(C=C(C(=C1)Br)C(=O)O)N |
InChI: | InChI=1S/C8H8BrNO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | WXEDVFCZCKWBCL-UHFFFAOYSA-N |
LogP: | 2.61910 |
Publication Number | Title | Priority Date |
WO-2019238929-A1 | Purinone compounds and their use in treating cancer | 20180615 |
AU-2019287295-A1 | Purinone compounds and their use in treating cancer | 20180615 |
CN-112236431-A | Purinone compounds and their use in the treatment of cancer | 20180615 |
EP-3807278-A1 | Purinone compounds and their use in treating cancer | 20180615 |
KR-20210020944-A | Purinone compounds and their use in cancer treatment | 20180615 |
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: | 1.8 |
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