2-Bromo-4,5-difluorobenzoic acid - CAS 64695-84-7
Catalog: |
BB032539 |
Product Name: |
2-Bromo-4,5-difluorobenzoic acid |
CAS: |
64695-84-7 |
Synonyms: |
2-bromo-4,5-difluorobenzoic acid |
IUPAC Name: | 2-bromo-4,5-difluorobenzoic acid |
Description: | 2-Bromo-4,5-difluorobenzoic acid (CAS# 64695-84-7) is a useful research chemical. |
Molecular Weight: | 237.00 |
Molecular Formula: | C7H3BrF2O2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)Br)C(=O)O |
InChI: | InChI=1S/C7H3BrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) |
InChI Key: | DGCBGBZYTNTZJH-UHFFFAOYSA-N |
Boiling Point: | 291.3 °C at 760 mmHg |
Melting Point: | 118-122 °C (lit.) |
Purity: | 98 % |
Density: | 1.872 g/cm3 |
Appearance: | White to yellow crystalline powder |
MDL: | MFCD04973422 |
LogP: | 2.42550 |
GHS Hazard Statement: | H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021119753-A1 | Compounds | 20191218 |
US-10800770-B1 | Chroman derivatives having estrogen receptor degradation activity and uses thereof | 20191212 |
EP-3835298-A1 | Novel chroman derivatives having estrogen receptor degradation activity and uses thereof | 20191212 |
US-2021221802-A1 | Novel chroman derivatives having estrogen receptor degradation activity and uses thereof | 20191212 |
WO-2021118629-A1 | Novel chroman derivatives having estrogen receptor degradation activity and uses thereof | 20191212 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.92845 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.92845 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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