4-Chloro-pyridine-2-carboxylic acid methyl ester - CAS 24484-93-3
Catalog: |
BB018499 |
Product Name: |
4-Chloro-pyridine-2-carboxylic acid methyl ester |
CAS: |
24484-93-3 |
Synonyms: |
methyl 4-chloropyridine-2-carboxylate |
IUPAC Name: | methyl 4-chloropyridine-2-carboxylate |
Description: | 4-Chloro-pyridine-2-carboxylic acid methyl ester (CAS# 24484-93-3) is a compound useful in organic synthesis. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | COC(=O)C1=NC=CC(=C1)Cl |
InChI: | InChI=1S/C7H6ClNO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3 |
InChI Key: | VTENWIPSWAMPKI-UHFFFAOYSA-N |
Boiling Point: | 264 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.294 g/cm3 |
MDL: | MFCD04116183 |
LogP: | 1.52160 |
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 |
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Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Carbonyl Compounds
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