2-Fluoro-5-nitrophenylacetic Acid - CAS 195609-18-8
Catalog: |
BB015137 |
Product Name: |
2-Fluoro-5-nitrophenylacetic Acid |
CAS: |
195609-18-8 |
Synonyms: |
2-(2-fluoro-5-nitrophenyl)acetic acid; 2-(2-fluoro-5-nitrophenyl)acetic acid |
IUPAC Name: | 2-(2-fluoro-5-nitrophenyl)acetic acid |
Description: | 2-Fluoro-5-nitrophenylacetic Acid (CAS# 195609-18-8) is a useful research chemical. |
Molecular Weight: | 199.14 |
Molecular Formula: | C8H6FNO4 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)F |
InChI: | InChI=1S/C8H6FNO4/c9-7-2-1-6(10(13)14)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | IDWINSICBKJFBK-UHFFFAOYSA-N |
Boiling Point: | 375.5 ℃ at 760 mmHg |
Density: | 1.498 g/cm3 |
MDL: | MFCD04091773 |
LogP: | 1.88420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021061761-A1 | Modulators of complex i | 20190826 |
CA-3050056-A1 | Rorgamma modulators and uses thereof | 20170127 |
EP-3573972-A1 | Rorgamma modulators and uses thereof | 20170127 |
US-2020000815-A1 | Rorgamma modulators and uses thereof | 20170127 |
WO-2018138359-A1 | Rorgamma modulators and uses thereof | 20170127 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.02808583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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