ethyl 2-amino-6-fluoro-3-nitrobenzoate - CAS 150368-37-9
Catalog: |
BB010527 |
Product Name: |
ethyl 2-amino-6-fluoro-3-nitrobenzoate |
CAS: |
150368-37-9 |
Synonyms: |
2-amino-6-fluoro-3-nitrobenzoic acid ethyl ester; ethyl 2-amino-6-fluoro-3-nitrobenzoate |
IUPAC Name: | ethyl 2-amino-6-fluoro-3-nitrobenzoate |
Description: | ethyl 2-amino-6-fluoro-3-nitrobenzoate (CAS# 150368-37-9) is a useful research chemical. |
Molecular Weight: | 228.179 |
Molecular Formula: | C9H9FN2O4 |
Canonical SMILES: | CCOC(=O)C1=C(C=CC(=C1N)[N+](=O)[O-])F |
InChI: | InChI=1S/C9H9FN2O4/c1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15/h3-4H,2,11H2,1H3 |
InChI Key: | PJSMHOIXOKZIMX-UHFFFAOYSA-N |
Boiling Point: | 369.9 °C at 760 mmHg |
Density: | 1.407 g/cm3 |
Appearance: | Solid |
LogP: | 2.59720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202100532-A | Fused tricyclic compounds | 20190305 |
WO-2020178282-A1 | Fused tricyclic compounds useful as anticancer agents | 20190305 |
CN-113508118-A | Fused tricyclic compounds useful as anticancer agents | 20190305 |
JP-2016028016-A | Oxadiazole derivatives and their pharmaceutical uses | 20121212 |
WO-2014092104-A1 | Oxadiazole derivative and pharmaceutical use of same | 20121212 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.05463493 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.05463493 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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