4-Bromo-1-naphthoic acid - CAS 16650-55-8
Catalog: |
BB012287 |
Product Name: |
4-Bromo-1-naphthoic acid |
CAS: |
16650-55-8 |
Synonyms: |
4-bromo-1-naphthalenecarboxylic acid; 4-bromonaphthalene-1-carboxylic acid |
IUPAC Name: | 4-bromonaphthalene-1-carboxylic acid |
Description: | 4-Bromo-1-naphthoic acid (CAS# 16650-55-8) is a useful research chemical. |
Molecular Weight: | 251.08 |
Molecular Formula: | C11H7BrO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)O |
InChI: | InChI=1S/C11H7BrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14) |
InChI Key: | FIJIPZQZVLCOMB-UHFFFAOYSA-N |
Boiling Point: | 408.8 °C at 760 mmHg |
Density: | 1.648 g/cm3 |
Appearance: | Solid |
LogP: | 3.30050 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778116-A | Preparation method of 1,4-naphthalenedicarboxylic acid | 20201230 |
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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: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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