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Methyl 2-Chloro-3-fluoro-4-pyridinecarboxylate

Methyl 2-Chloro-3-fluoro-4-pyridinecarboxylate - CAS 628691-95-2

Catalog:	BB031853
Product Name:	Methyl 2-Chloro-3-fluoro-4-pyridinecarboxylate
CAS:	628691-95-2
Synonyms:	2-chloro-3-fluoro-4-pyridinecarboxylic acid methyl ester; methyl 2-chloro-3-fluoropyridine-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-chloro-3-fluoropyridine-4-carboxylate
Description:	Methyl 2-Chloro-3-fluoro-4-pyridinecarboxylate (CAS# 628691-95-2) is a useful research chemical.
Molecular Weight:	189.57
Molecular Formula:	C7H5ClFNO2
Canonical SMILES:	COC(=O)C1=C(C(=NC=C1)Cl)F
InChI:	InChI=1S/C7H5ClFNO2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,1H3
InChI Key:	ZVEGSWOSYWFZOR-UHFFFAOYSA-N
Boiling Point:	257.5 °C at 760 mmHg
Density:	1.386 g/cm³
LogP:	1.66070

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Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.9992843
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.9992843
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8