2-Amino-4'-fluoroacetophenone Hydrochloride - CAS 456-00-8
Catalog: |
BB025944 |
Product Name: |
2-Amino-4'-fluoroacetophenone Hydrochloride |
CAS: |
456-00-8 |
Synonyms: |
2-amino-1-(4-fluorophenyl)ethanone;hydrochloride; 2-amino-1-(4-fluorophenyl)ethanone;hydrochloride |
IUPAC Name: | 2-amino-1-(4-fluorophenyl)ethanone;hydrochloride |
Description: | 2-Amino-4'-fluoroacetophenone Hydrochloride (CAS# 456-00-8) is a useful research chemical. |
Molecular Weight: | 189.61 |
Molecular Formula: | C8H9ClFNO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CN)F.Cl |
InChI: | InChI=1S/C8H8FNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H |
InChI Key: | KQROOJFZQSQJMM-UHFFFAOYSA-N |
Boiling Point: | 296.6 °C at 760 mmHg |
MDL: | MFCD00193059 |
LogP: | 2.46940 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105474-A1 | New compounds for treatment of diseases related to dux4 expression | 20191129 |
WO-2020150545-A1 | Pyrazole derivatives as modulators of the wnt/b-catenin signaling pathway | 20190117 |
TW-201840556-A | Metalase inhibitor compound, pharmaceutical composition, and method of using the same | 20170310 |
US-10357493-B2 | Metalloenzyme inhibitor compounds | 20170310 |
US-2018256572-A1 | Metalloenzyme inhibitor compounds | 20170310 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0356698 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0356698 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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