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 |
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). |
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: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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