Methyl 2-(2-Bromo-4-chlorophenyl)acetate - CAS 115871-49-3
Catalog: |
BB003638 |
Product Name: |
Methyl 2-(2-Bromo-4-chlorophenyl)acetate |
CAS: |
115871-49-3 |
Synonyms: |
2-(2-bromo-4-chlorophenyl)acetic acid methyl ester; methyl 2-(2-bromo-4-chlorophenyl)acetate |
IUPAC Name: | methyl 2-(2-bromo-4-chlorophenyl)acetate |
Description: | Methyl 2-(2-Bromo-4-chlorophenyl)acetate (CAS# 115871-49-3) is a useful research chemical. |
Molecular Weight: | 263.52 |
Molecular Formula: | C9H8BrClO2 |
Canonical SMILES: | COC(=O)CC1=C(C=C(C=C1)Cl)Br |
InChI: | InChI=1S/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3 |
InChI Key: | LRGRTSYKKXHITJ-UHFFFAOYSA-N |
Boiling Point: | 281.096 ℃ at 760 mmHg |
Density: | 1.567 g/cm3 |
Appearance: | Liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06658159 |
LogP: | 2.81800 |
Publication Number | Title | Priority Date |
WO-2021126902-A1 | Amido-substituted heterocyclic compounds and methods of use thereof for the treatment of herpes viruses | 20191220 |
WO-2020092621-A1 | Substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
TW-202033522-A | Substituted 6-azabenzimidazole compounds | 20181031 |
US-2021115037-A1 | Substituted 6-azabenzimidazole compounds | 20181031 |
CN-113227089-A | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 20181031 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.93962 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.93962 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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