4-Acetyl-3-bromopyridine - CAS 111043-06-2
Catalog: |
BB002703 |
Product Name: |
4-Acetyl-3-bromopyridine |
CAS: |
111043-06-2 |
Synonyms: |
1-(3-bromo-4-pyridinyl)ethanone; 1-(3-bromopyridin-4-yl)ethanone |
IUPAC Name: | 1-(3-bromopyridin-4-yl)ethanone |
Description: | 4-Acetyl-3-bromopyridine (CAS# 111043-06-2) is a useful research chemical. |
Molecular Weight: | 200.03 |
Molecular Formula: | C7H6BrNO |
Canonical SMILES: | CC(=O)C1=C(C=NC=C1)Br |
InChI: | InChI=1S/C7H6BrNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3 |
InChI Key: | JCSJIVMVXJQSDE-UHFFFAOYSA-N |
LogP: | 2.04670 |
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 |
JP-2019011367-A | Method for producing optically active secondary alcohol | 20181012 |
US-2019382350-A1 | PYRIDINYL PYRAZOLES AS MODULATORS OF RORyT | 20180618 |
US-2019382373-A1 | 6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORgT | 20180618 |
WO-2019244001-A1 | 6-aminopyridin-3-yl pyrazoles as modulators of roryt | 20180618 |
WO-2019244002-A1 | Pyridinyl pyrazoles as modulators of roryt | 20180618 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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