4-Bromonaphthalene-2-carboxylic Acid - CAS 1013-80-5
Catalog: |
BB074089 |
Product Name: |
4-Bromonaphthalene-2-carboxylic Acid |
CAS: |
1013-80-5 |
Synonyms: |
4-bromo-2-naphthoic acid; 4-bromonaphthalene-2-carboxylic acid; 2-Naphthalenecarboxylic acid, 4-bromo-; 4-bromo-2-naphthoicacid |
IUPAC Name: | 4-bromonaphthalene-2-carboxylic acid |
Molecular Weight: | 251.07 |
Molecular Formula: | C11H7O2Br |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(C=C2Br)C(=O)O |
InChI: | InChI=1S/C11H7BrO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14) |
InChI Key: | MSWOSGXPFKDJRE-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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: | 2.9 |
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