Methyl 3-Bromo-5-fluoro-4-nitrobenzoate - CAS 1123171-93-6
Catalog: |
BB002939 |
Product Name: |
Methyl 3-Bromo-5-fluoro-4-nitrobenzoate |
CAS: |
1123171-93-6 |
Synonyms: |
3-bromo-5-fluoro-4-nitrobenzoic acid methyl ester; methyl 3-bromo-5-fluoro-4-nitrobenzoate |
IUPAC Name: | methyl 3-bromo-5-fluoro-4-nitrobenzoate |
Description: | Methyl 3-Bromo-5-fluoro-4-nitrobenzoate (CAS# 1123171-93-6) is a useful research chemical. |
Molecular Weight: | 278.03 |
Molecular Formula: | C8H5BrFNO4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C(=C1)Br)[N+](=O)[O-])F |
InChI: | InChI=1S/C8H5BrFNO4/c1-15-8(12)4-2-5(9)7(11(13)14)6(10)3-4/h2-3H,1H3 |
InChI Key: | VTKKLEVLDPUKPD-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.80620 |
Publication Number | Title | Priority Date |
US-2021238188-A1 | Heterocyclic compounds as anti-viral agents | 20200124 |
WO-2021150806-A1 | Heterocyclic compounds as anti-viral agents | 20200124 |
WO-2020146237-A1 | Heteroaryl amide compounds as sting activators | 20190107 |
US-2020040009-A1 | Tricyclic heteraryl compounds as sting activators | 20180731 |
WO-2020028565-A1 | Tricyclic heteraryl compounds as sting activators | 20180731 |
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: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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