Methyl 3-Bromo-2-methyl-5-nitrobenzoate - CAS 885519-05-1
Catalog: |
BB038970 |
Product Name: |
Methyl 3-Bromo-2-methyl-5-nitrobenzoate |
CAS: |
885519-05-1 |
Synonyms: |
3-bromo-2-methyl-5-nitrobenzoic acid methyl ester; methyl 3-bromo-2-methyl-5-nitrobenzoate |
IUPAC Name: | methyl 3-bromo-2-methyl-5-nitrobenzoate |
Description: | Methyl 3-Bromo-2-methyl-5-nitrobenzoate (CAS# 885519-05-1) is a useful research chemical. |
Molecular Weight: | 274.07 |
Molecular Formula: | C9H8BrNO4 |
Canonical SMILES: | CC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])Br |
InChI: | InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3 |
InChI Key: | KHYSOGYKNCNXIS-UHFFFAOYSA-N |
Boiling Point: | 344.822 °C at 760 mmHg |
Density: | 1.597 g/cm3 |
LogP: | 2.97550 |
Publication Number | Title | Priority Date |
AU-2016357900-A1 | Benzofuran derivative, preparation method thereof and use thereof in medicine | 20151119 |
CN-107428742-B | Benzofuran derivative, preparation method and medical application thereof | 20151119 |
EP-3378859-A1 | Benzofuran derivative, preparation method thereof and use thereof in medicine | 20151119 |
EP-3378859-B1 | Benzofuran derivative, preparation method thereof and use thereof in medicine | 20151119 |
ES-2760510-T3 | Derived from benzofuran, method of preparing it and using it in medicine | 20151119 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.96367 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.96367 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS