Methyl 6-Chloropyrimidine-4-carboxylate - CAS 6627-22-1
Catalog: |
BB032955 |
Product Name: |
Methyl 6-Chloropyrimidine-4-carboxylate |
CAS: |
6627-22-1 |
Synonyms: |
6-chloro-4-pyrimidinecarboxylic acid methyl ester; methyl 6-chloropyrimidine-4-carboxylate |
IUPAC Name: | methyl 6-chloropyrimidine-4-carboxylate |
Description: | Methyl 6-Chloropyrimidine-4-carboxylate (CAS# 6627-22-1) is a useful research chemical. |
Molecular Weight: | 172.57 |
Molecular Formula: | C6H5ClN2O2 |
Canonical SMILES: | COC(=O)C1=CC(=NC=N1)Cl |
InChI: | InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-5(7)9-3-8-4/h2-3H,1H3 |
InChI Key: | IAEUEOUJKNGPMO-UHFFFAOYSA-N |
Boiling Point: | 271.3 °C at 760 mmHg |
Density: | 1.372 g/cm3 |
Appearance: | Orange to brown powder |
LogP: | 0.91660 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112812105-A | Aminopyridyloxypyrazole derivative and preparation method and application thereof | 20200324 |
WO-2020212351-A1 | Substituted cyanopyrrolidines with activity as usp30 inhibitors | 20190416 |
US-2020048242-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180809 |
US-11053235-B2 | Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases | 20180809 |
US-11077101-B1 | Compounds and methods of use | 20180718 |
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: | 1.4 |
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