2-Naphthyl Benzoate - CAS 93-44-7

Catalog:	BB040927
Product Name:	2-Naphthyl Benzoate
CAS:	93-44-7
Synonyms:	benzoic acid 2-naphthalenyl ester; naphthalen-2-yl benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	naphthalen-2-yl benzoate
Description:	2-Naphthyl Benzoate (CAS# 93-44-7) is a useful research chemical.
Molecular Weight:	248.28
Molecular Formula:	C17H12O2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2
InChI:	InChI=1S/C17H12O2/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChI Key:	DWJIJRSTYFPKGD-UHFFFAOYSA-N
Boiling Point:	414 °C
Density:	1.0768-1.1136 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00014320
LogP:	4.05900

Publication Number	Title	Priority Date
US-10980756-B1	Methods of treatment	20200316
US-2021114973-A1	Pharmaceutical formulations	20191018
WO-2021076922-A1	Pharmaceutical formulations	20191018
WO-2021058926-A1	Solid anhydrous composition in powder form comprising at least one organic peroxide, at least one phlegmatizing agent and at least one binder and corresponding preparation method	20190927
WO-2021059568-A1	Ink, method for producing said ink, and temperature indicator using said ink	20190925

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Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.083729621
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4