Methyl 3-Fluoro-2-nitrobenzoate - CAS 1214353-57-7
Catalog: |
BB005152 |
Product Name: |
Methyl 3-Fluoro-2-nitrobenzoate |
CAS: |
1214353-57-7 |
Synonyms: |
3-fluoro-2-nitrobenzoic acid methyl ester; methyl 3-fluoro-2-nitrobenzoate |
IUPAC Name: | methyl 3-fluoro-2-nitrobenzoate |
Description: | Methyl 3-Fluoro-2-nitrobenzoate (CAS# 1214353-57-7) is a useful research chemical. |
Molecular Weight: | 199.14 |
Molecular Formula: | C8H6FNO4 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6FNO4/c1-14-8(11)5-3-2-4-6(9)7(5)10(12)13/h2-4H,1H3 |
InChI Key: | CAEZBCWSCZBLRF-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD11520393 |
LogP: | 2.04370 |
Publication Number | Title | Priority Date |
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Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.02808583 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.02808583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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