CAS 5773-80-8 | 6-Bromo-2-naphthoic acid | CAS Number 5773-80-8

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5773-80-8 | 6-Bromo-2-naphthoic acid

CAS No: 5773-80-8 Catalog No: AG0034C5 MDL No:MFCD01075720

Product Description

Catalog Number:

AG0034C5

Chemical Name:

6-Bromo-2-naphthoic acid

CAS Number:

5773-80-8

Molecular Formula:

C11H7BrO2

Molecular Weight:

251.0761

MDL Number:

MFCD01075720

IUPAC Name:

6-bromonaphthalene-2-carboxylic acid

InChI:

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

InChI Key:

NPMCAVBMOTZUPD-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)ccc(c2)C(=O)O

EC Number:

611-572-1

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:

Literature

Title	Journal
New synthesis of 6[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid and evaluation of the influence of adamantyl group on the DNA binding of a naphthoic retinoid.	Bioorganic chemistry 20110801
Structures and vibrational frequencies of 2-naphthoic acid and 6-bromo-2-naphthoic acid based on density functional theory calculations.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080601