Methyl 2-Amino-3-bromobenzoate - CAS 104670-74-8
Catalog: |
BB001452 |
Product Name: |
Methyl 2-Amino-3-bromobenzoate |
CAS: |
104670-74-8 |
Synonyms: |
2-amino-3-bromobenzoic acid methyl ester; methyl 2-amino-3-bromobenzoate |
IUPAC Name: | methyl 2-amino-3-bromobenzoate |
Description: | Methyl 2-Amino-3-bromobenzoate (CAS# 104670-74-8) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)Br)N |
InChI: | InChI=1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3 |
InChI Key: | FGSIUBWPZRBMOC-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD11042862 |
LogP: | 2.39910 |
Publication Number | Title | Priority Date |
CN-112079859-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 20200924 |
WO-2021202977-A1 | Pyrrolopyrimidine amines as complement inhibitors | 20200403 |
WO-2021169990-A1 | Kras inhibitors for treating cancers | 20200224 |
WO-2021144439-A1 | Quinoxaline derivatives | 20200117 |
US-2021128589-A1 | Phosphonium ion channel blockers and methods for use | 20191106 |
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: | 2.6 |
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