3-Bromo-5-fluorobenzoic acid - CAS 176548-70-2
Catalog: |
BB013232 |
Product Name: |
3-Bromo-5-fluorobenzoic acid |
CAS: |
176548-70-2 |
Synonyms: |
3-bromo-5-fluorobenzoic acid; 3-bromo-5-fluorobenzoic acid |
IUPAC Name: | 3-bromo-5-fluorobenzoic acid |
Description: | 3-Bromo-5-fluorobenzoic acid (CAS# 176548-70-2) is a useful research chemical. |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1=C(C=C(C=C1F)Br)C(=O)O |
InChI: | InChI=1S/C7H4BrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) |
InChI Key: | KLSLJMGWUPAQGZ-UHFFFAOYSA-N |
Boiling Point: | 303.3 °C at 760 mmHg |
Melting Point: | 140 °C |
Purity: | 98 % |
Density: | 1.789 g/cm3 |
Appearance: | White solid |
MDL: | MFCD01569540 |
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 |
WO-2021155320-A1 | Compounds and uses thereof | 20200129 |
WO-2021130682-A2 | Biomarkers for cancer therapy using mdm2 antagonists | 20191223 |
WO-2021093795-A1 | Rock inhibitor, preparation method therefor and use thereof | 20191115 |
WO-2020079205-A1 | New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20181019 |
TW-202028188-A | New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20181019 |
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: | 2.4 |
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