3-Bromo-4-fluorobenzoic acid - CAS 1007-16-5
Catalog: |
BB000310 |
Product Name: |
3-Bromo-4-fluorobenzoic acid |
CAS: |
1007-16-5 |
Synonyms: |
3-bromo-4-fluorobenzoic acid |
IUPAC Name: | 3-bromo-4-fluorobenzoic acid |
Description: | 3-Bromo-4-fluorobenzoic acid (CAS# 1007-16-5) is a building block used in the synthesis of a highly selective and potent PTP-MEG2 inhibitor with therapeutic potential for type 2 diabetes. |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Br)F |
InChI: | InChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
InChI Key: | ONELILMJNOWXSA-UHFFFAOYSA-N |
Boiling Point: | 306.6 °C at 760 mmHg |
Melting Point: | 138-140 °C |
Purity: | 98 % |
Density: | 1.789 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00042463 |
LogP: | 2.28640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021175913-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-2021115053-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
WO-2021076728-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
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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