3,4-Dichloropyridine-2-carboxylic Acid - CAS 959578-03-1

Catalog:	BB041918
Product Name:	3,4-Dichloropyridine-2-carboxylic Acid
CAS:	959578-03-1
Synonyms:	3,4-dichloro-2-pyridinecarboxylic acid; 3,4-dichloropyridine-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3,4-dichloropyridine-2-carboxylic acid
Description:	3,4-Dichloropyridine-2-carboxylic Acid (CAS# 959578-03-1) is a useful research chemical.
Molecular Weight:	192.00
Molecular Formula:	C6H3Cl2NO2
Canonical SMILES:	C1=CN=C(C(=C1Cl)Cl)C(=O)O
InChI:	InChI=1S/C6H3Cl2NO2/c7-3-1-2-9-5(4(3)8)6(10)11/h1-2H,(H,10,11)
InChI Key:	AFZMKBLOQNTBOT-UHFFFAOYSA-N
Boiling Point:	317 °C
Density:	1.612 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.08660

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.9540837
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.9540837
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2