4-Bromo-2-pyridinesulfonyl Chloride - CAS 1060808-87-8
Catalog: |
BB071159 |
Product Name: |
4-Bromo-2-pyridinesulfonyl Chloride |
CAS: |
1060808-87-8 |
Synonyms: |
4-BROMOPYRIDINE-2-SULFONYL CHLORIDE |
IUPAC Name: | 4-bromopyridine-2-sulfonyl chloride |
Description: | 4-Bromo-2-pyridinesulfonyl Chloride is a NaV1.8 blocker with good pharmacokinetic activity. |
Molecular Weight: | 256.5 |
Molecular Formula: | C5H3BrClNO2S |
Canonical SMILES: | C1=CN=C(C=C1Br)S(=O)(=O)Cl |
InChI: | InChI=1S/C5H3BrClNO2S/c6-4-1-2-8-5(3-4)11(7,9)10/h1-3H |
InChI Key: | IHFLWMCWRPGYNP-UHFFFAOYSA-N |
Melting Point: | >88°C (dec.) |
Solubility: | Acetonitrile (Slightly), Chloroform (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Inert atmosphere |
References: | Zhang, Q., et.al. Faming Zhuanli Shenqing, 23, (2021). |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.87564 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.87564 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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