Methyl 5-bromo-2-fluoro-3-nitrobenzoate - CAS 1154278-17-7
Catalog: |
BB059865 |
Product Name: |
Methyl 5-bromo-2-fluoro-3-nitrobenzoate |
CAS: |
1154278-17-7 |
Synonyms: |
Methyl 5-bromo-2-fluoro-3-nitrobenzoate; Methyl5-bromo-2-fluoro-3-nitrobenzoate; Benzoic acid, 5-bromo-2-fluoro-3-nitro-, methyl ester |
IUPAC Name: | methyl 5-bromo-2-fluoro-3-nitrobenzoate |
Description: | Methyl 5-bromo-2-fluoro-3-nitrobenzoate |
Molecular Weight: | 278.03 |
Molecular Formula: | C8H5BrFNO4 |
Canonical SMILES: | COC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])F |
InChI: | InChI=1S/C8H5BrFNO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3 |
InChI Key: | ODDWYOBMSSXDDU-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021209485-A1 | Benzimidazole derivatives | 20200416 |
WO-2015110999-A1 | Ezh2 inhibitors and uses thereof | 20140124 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.9386 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.9386 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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