2,5-Dibromophenylacetic Acid - CAS 203314-28-7
Catalog: |
BB015807 |
Product Name: |
2,5-Dibromophenylacetic Acid |
CAS: |
203314-28-7 |
Synonyms: |
2-(2,5-dibromophenyl)acetic acid; 2-(2,5-dibromophenyl)acetic acid |
IUPAC Name: | 2-(2,5-dibromophenyl)acetic acid |
Description: | 2,5-Dibromophenylacetic Acid (CAS# 203314-28-7) is used as a reactant in the synthesis of MK-8742, a HCV NS5a inhibitor. |
Molecular Weight: | 293.94 |
Molecular Formula: | C8H6Br2O2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)CC(=O)O)Br |
InChI: | InChI=1S/C8H6Br2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | NKZKFWYEXDBOTP-UHFFFAOYSA-N |
MDL: | MFCD02664691 |
LogP: | 2.83870 |
GHS Hazard Statement: | H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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 |
CN-108794329-A | A kind of synthetic method of 2,5- dibromos phenylacetic acid | 20180514 |
CN-107021968-B | The method of the polysubstituted organic photochemical catalyst catalyzing indole quinoline class compound oxidation dehydrogenation synthesis of indole class compound of BODIPY | 20170525 |
CN-107759459-A | The synthetic method of one kind 2,5- dibromo phenylacetic acids | 20170418 |
CN-108290904-A | Elbasvir derivatives, the medical composition and its use containing the compound of deuterium modification | 20151210 |
WO-2017097253-A1 | Deuterium-modified elbasvir derivative, drug composition containing same, and use thereof | 20151210 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.87141 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.87345 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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