2-Bromo-3-fluorobenzoic acid - CAS 132715-69-6
Catalog: |
BB007624 |
Product Name: |
2-Bromo-3-fluorobenzoic acid |
CAS: |
132715-69-6 |
Synonyms: |
2-bromo-3-fluorobenzoic acid; 2-bromo-3-fluorobenzoic acid |
IUPAC Name: | 2-bromo-3-fluorobenzoic acid |
Description: | 2-Bromo-3-fluorobenzoic acid (CAS# 132715-69-6) is a useful research chemical. |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)Br)C(=O)O |
InChI: | InChI=1S/C7H4BrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11) |
InChI Key: | KQRCBMPPEPNNDS-UHFFFAOYSA-N |
Boiling Point: | 292.7 °C at 760 mmHg |
Melting Point: | 158-160 °C |
Purity: | 95 % |
Density: | 1.789 g/cm3 |
Appearance: | Off-white powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01569398 |
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 |
CN-112159405-A | Pyridopyrimidinone compounds and application thereof | 20200204 |
CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 20200204 |
WO-2021155716-A1 | Pyridopyrimidinone compound and application thereof | 20200204 |
WO-2021119753-A1 | Compounds | 20191218 |
WO-2021115286-A1 | Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor | 20191210 |
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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