3-(3-Bromophenyl)propionic acid - CAS 42287-90-1
Catalog: |
BB025097 |
Product Name: |
3-(3-Bromophenyl)propionic acid |
CAS: |
42287-90-1 |
Synonyms: |
3-(3-bromophenyl)propanoic acid |
IUPAC Name: | 3-(3-bromophenyl)propanoic acid |
Description: | 3-(3-Bromophenyl)propionic acid (CAS# 42287-90-1) is a useful research chemical. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)CCC(=O)O |
InChI: | InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12) |
InChI Key: | DWKWMFSWLCIMKI-UHFFFAOYSA-N |
Boiling Point: | 336.3 °C at 760 mmHg |
Melting Point: | 72-76 °C |
Purity: | 98 % |
Density: | 1.531 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD01310792 |
LogP: | 2.46630 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021115560-A1 | New fyn and vegfr2 kinase inhibitors | 20191209 |
WO-2021116005-A1 | New fyn and vegfr2 kinase inhibitors | 20191209 |
CN-111909108-A | Biphenyl compound and preparation method and medical application thereof | 20190902 |
WO-2021043116-A1 | Biphenyl compounds, preparation method therefor and medical use thereof | 20190902 |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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