Methyl 3-Chloropyrazine-2-carboxylate - CAS 27825-21-4
Catalog: |
BB019681 |
Product Name: |
Methyl 3-Chloropyrazine-2-carboxylate |
CAS: |
27825-21-4 |
Synonyms: |
3-chloro-2-pyrazinecarboxylic acid methyl ester; methyl 3-chloropyrazine-2-carboxylate |
IUPAC Name: | methyl 3-chloropyrazine-2-carboxylate |
Description: | Methyl 3-Chloropyrazine-2-carboxylate (CAS# 27825-21-4) is a compound useful in organic synthesis. |
Molecular Weight: | 172.57 |
Molecular Formula: | C6H5ClN2O2 |
Canonical SMILES: | COC(=O)C1=NC=CN=C1Cl |
InChI: | InChI=1S/C6H5ClN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3 |
InChI Key: | SSXOFWYPCZOGBM-UHFFFAOYSA-N |
Boiling Point: | 249.7 °C at 760 mmHg |
Density: | 1.372 g/cm3 |
MDL: | MFCD03093326 |
LogP: | 0.91660 |
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 |
WO-2021198149-A1 | Substituted 3-phenoxyazetidin-1-yl-pyrazines having gpr52 agonistic activity | 20200330 |
WO-2021113362-A1 | Sstr5 antagonists | 20191203 |
WO-2021102204-A1 | Heteroaryl compounds | 20191120 |
WO-2019208614-A1 | Resin composition, laminate, resin composition layer-attached semiconductor wafer, substrate for mounting resin composition layer-attached semiconductor, and semiconductor device | 20180426 |
CN-112004845-A | Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device | 20180426 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0039551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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