4-Chloro-1-napthalenecarboxylic Acid - CAS 1013-04-3

Catalog:	BB062400
Product Name:	4-Chloro-1-napthalenecarboxylic Acid
CAS:	1013-04-3
Synonyms:	4-Chloro-1-naphthalenecarboxylic Acid; 4-Chloro-1-naphthoic Acid

Technical Data

IUPAC Name:	4-chloronaphthalene-1-carboxylic acid
Description:	4-Chloro-1-napthalenecarboxylic Acid is used in the synthesis of naphthoyl-indoles as CB1 and CB2 receptor inhibitors.
Molecular Weight:	206.63
Molecular Formula:	C11H7ClO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)O
InChI:	InChI=1S/C11H7ClO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChI Key:	SHCCGXNIGGRSMX-UHFFFAOYSA-N
Melting Point:	>175°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly, Heated)
Appearance:	Pale Yellow to Light Beige Solid
Storage:	Refrigerator, under inert atmosphere
References:	Wiley, J. et al. Bioorg. Med. Chem., 20, 2067 (2012).

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.0134572
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.0134572
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7