2-acetamido-5-fluorobenzoic acid - CAS 49579-56-8
Catalog: |
BB026738 |
Product Name: |
2-acetamido-5-fluorobenzoic acid |
CAS: |
49579-56-8 |
Synonyms: |
2-acetamido-5-fluorobenzoic acid; 2-acetamido-5-fluorobenzoic acid |
IUPAC Name: | 2-acetamido-5-fluorobenzoic acid |
Description: | 2-acetamido-5-fluorobenzoic acid (CAS# 49579-56-8 ) is a useful research chemical. |
Molecular Weight: | 197.16 |
Molecular Formula: | C9H8FNO3 |
Canonical SMILES: | CC(=O)NC1=C(C=C(C=C1)F)C(=O)O |
InChI: | InChI=1S/C9H8FNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
InChI Key: | QNHDURZULPJHIT-UHFFFAOYSA-N |
Boiling Point: | 413.8 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.415 g/cm3 |
MDL: | MFCD00973900 |
LogP: | 1.55530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2585467-A1 | Pyrazolo [1, 5 -a]pyrimidines as antiviral agents | 20100624 |
EP-2585467-B1 | Pyrazolo[1,5-a]pyrimidines and -triazines as antiviral agents | 20100624 |
EP-3012258-A1 | Pyrazolo[1,5-a]pyrimidines and -triazines as antiviral agents | 20100624 |
TW-I626050-B | Pharmaceutical composition and use of pyrazolo[1,5-a]pyrimidines | 20100624 |
US-2012003215-A1 | Pyrazolo[1,5-a]pyrimidines for antiviral treatment | 20100624 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.04882128 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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