4-Bromo-3-fluorobenzoic acid - CAS 153556-42-4
Catalog: |
BB010914 |
Product Name: |
4-Bromo-3-fluorobenzoic acid |
CAS: |
153556-42-4 |
Synonyms: |
4-bromo-3-fluorobenzoic acid; 4-bromo-3-fluorobenzoic acid |
IUPAC Name: | 4-bromo-3-fluorobenzoic acid |
Description: | 4-Bromo-3-fluorobenzoic acid (CAS# 153556-42-4) is a useful research chemical. |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)F)Br |
InChI: | InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) |
InChI Key: | RMYOGXPGIDWJLU-UHFFFAOYSA-N |
Boiling Point: | 195.9 ℃ at 760 mmHg |
Melting Point: | 207 ℃ |
Purity: | 98 % |
Density: | 1.34 g/cm3 |
Appearance: | White crystal powder |
MDL: | MFCD00672932 |
LogP: | 2.28640 |
GHS Hazard Statement: | H301 (82.61%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.93787 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.93787 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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