8-Bromonaphthalene-2-carboxylic Acid - CAS 5043-21-0

Catalog:	BB071122
Product Name:	8-Bromonaphthalene-2-carboxylic Acid
CAS:	5043-21-0
Synonyms:	8-Bromo-2-naphthoic Acid; 8-bromonaphthalene-2-carboxylic acid; 2-Naphthalenecarboxylic acid, 8-bromo-; 8-Bromo-2-naphthoicAcid; 8-bromo-2-napthoic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	8-bromonaphthalene-2-carboxylic acid
Molecular Weight:	251.08
Molecular Formula:	C11H7BrO2
Canonical SMILES:	C1=CC2=C(C=C(C=C2)C(=O)O)C(=C1)Br
InChI:	InChI=1S/C11H7BrO2/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,(H,13,14)
InChI Key:	IZHZECRBGYWGJP-UHFFFAOYSA-N
References:	Adcock, W., et al. Aust. J. Chem., 18, 1351 (1965).

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.96294
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.96294
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5