2-bromo-5-chlorophenylacetic acid - CAS 81682-38-4
Catalog: |
BB036695 |
Product Name: |
2-bromo-5-chlorophenylacetic acid |
CAS: |
81682-38-4 |
Synonyms: |
2-(2-bromo-5-chlorophenyl)acetic acid; 2-(2-bromo-5-chlorophenyl)acetic acid |
IUPAC Name: | 2-(2-bromo-5-chlorophenyl)acetic acid |
Description: | 2-bromo-5-chlorophenylacetic acid (CAS# 81682-38-4) is a useful research chemical. |
Molecular Weight: | 249.49 |
Molecular Formula: | C8H6BrClO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)CC(=O)O)Br |
InChI: | InChI=1S/C8H6BrClO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | ZPSZXWVBMOMXED-UHFFFAOYSA-N |
Boiling Point: | 345.6 ℃ at 760 mmHg |
Melting Point: | 101-103 ℃ |
Purity: | 98 % |
Density: | 1.72 g/cm3 |
MDL: | MFCD00153890 |
LogP: | 2.72960 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112624972-A | Acridone compound and medical application thereof | 20190924 |
WO-2021055797-A1 | Selective inhibitors of protein arginine methyltransferase 5 (prmt5) | 20190918 |
WO-2020206299-A1 | Selective inhibitors of protein arginine methyltransferase 5 | 20190405 |
TW-202045504-A | Pyrido-pyrimidinyl compounds and methods of use | 20190218 |
WO-2020172093-A1 | Pyrido-pyrimidinyl compounds and methods of use | 20190218 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.92397 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.92397 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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