Methyl 4-Bromo-2-chlorobenzoate - CAS 185312-82-7
Catalog: |
BB014220 |
Product Name: |
Methyl 4-Bromo-2-chlorobenzoate |
CAS: |
185312-82-7 |
Synonyms: |
4-bromo-2-chlorobenzoic acid methyl ester; methyl 4-bromo-2-chlorobenzoate |
IUPAC Name: | methyl 4-bromo-2-chlorobenzoate |
Description: | Methyl 4-Bromo-2-chlorobenzoate (CAS# 185312-82-7) is a useful research chemical. |
Molecular Weight: | 249.49 |
Molecular Formula: | C8H6BrClO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)Br)Cl |
InChI: | InChI=1S/C8H6BrClO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3 |
InChI Key: | JSNXIWYWUKTWAX-UHFFFAOYSA-N |
Boiling Point: | 295.117 °C at 760 mmHg |
Density: | 1.605 g/cm3 |
LogP: | 2.88910 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210081285-A | Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133038-A1 | Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof | 20191223 |
WO-2021126729-A1 | Prmt5 inhibitors | 20191217 |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
US-2021147398-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.92397 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.92397 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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