CAS 20717-79-7 | 2-Naphthalenecarboxylic acid, 1-bromo- | CAS Number 20717-79-7

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20717-79-7 | 2-Naphthalenecarboxylic acid, 1-bromo-

CAS No: 20717-79-7 Catalog No: AG002IVR MDL No:MFCD00021408

Product Description

Catalog Number:

AG002IVR

Chemical Name:

2-Naphthalenecarboxylic acid, 1-bromo-

CAS Number:

20717-79-7

Molecular Formula:

C11H7BrO2

Molecular Weight:

251.0761

MDL Number:

MFCD00021408

IUPAC Name:

1-bromonaphthalene-2-carboxylic acid

InChI:

InChI=1S/C11H7BrO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)

InChI Key:

VUVIRKAVBZITDO-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1Br)cccc2

EC Number:

243-984-9

Properties

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.079g/mol

Monoisotopic Mass:

249.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase.	European journal of medicinal chemistry 20100201
Methyl 1-bromo-2-naphthoate.	Acta crystallographica. Section E, Structure reports online 20091201
Vapor pressures and thermodynamics of oxygen-containing polycyclic aromatic hydrocarbons measured using Knudsen effusion.	Environmental toxicology and chemistry 20080601
Synthesis and cytotoxic activity of acronycine analogues in the benzo[c]pyrano[3,2-h]acridin-7-one and naphtho[1,2-b][1,7] and [1,10]-phenanthrolin-7(14H)-one series.	Chemical & pharmaceutical bulletin 20051201