4-Bromo-3-nitrobenzenesulfonyl Chloride - CAS 4750-22-5
Catalog: |
BB026319 |
Product Name: |
4-Bromo-3-nitrobenzenesulfonyl Chloride |
CAS: |
4750-22-5 |
Synonyms: |
4-bromo-3-nitrobenzenesulfonyl chloride; 4-bromo-3-nitrobenzenesulfonyl chloride |
IUPAC Name: | 4-bromo-3-nitrobenzenesulfonyl chloride |
Description: | 4-Bromo-3-nitrobenzenesulfonyl Chloride (CAS# 4750-22-5) is a useful research chemical. |
Molecular Weight: | 300.51 |
Molecular Formula: | C6H3BrClNO4S |
Canonical SMILES: | C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])Br |
InChI: | InChI=1S/C6H3BrClNO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H |
InChI Key: | OHJQQLFBGSDTEY-UHFFFAOYSA-N |
LogP: | 3.88880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111662275-A | Benzenesulfonamide IDH mutant inhibitor, preparation method and application thereof | 20190308 |
CN-107922375-B | Anti-tumor compounds targeting the IDH2 mutation and methods of use thereof | 20150730 |
US-2015299115-A1 | Therapeutic compounds and compositions | 20121015 |
WO-2014062511-A1 | Therapeutic compounds and compositions | 20121015 |
JP-4870570-B2 | N-acylsulfonamide-based apoptosis promoter | 20031113 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.86547 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.86547 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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