1-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrazolo[3,4-b]pyridine - CAS 1638760-12-9
Catalog: |
BB012047 |
Product Name: |
1-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrazolo[3,4-b]pyridine |
CAS: |
1638760-12-9 |
Synonyms: |
1-(benzenesulfonyl)-4-chloro-5-nitropyrazolo[3,4-b]pyridine; 1-(benzenesulfonyl)-4-chloro-5-nitropyrazolo[3,4-b]pyridine |
IUPAC Name: | 1-(benzenesulfonyl)-4-chloro-5-nitropyrazolo[3,4-b]pyridine |
Description: | 1-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrazolo[3,4-b]pyridine (CAS# 1638760-12-9 ) is a useful research chemical. |
Molecular Weight: | 338.722 |
Molecular Formula: | C12H7ClN4O4S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C3=NC=C(C(=C3C=N2)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C12H7ClN4O4S/c13-11-9-6-15-16(12(9)14-7-10(11)17(18)19)22(20,21)8-4-2-1-3-5-8/h1-7H |
InChI Key: | JRTLJQDNROSAJX-UHFFFAOYSA-N |
Complexity: | 528 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.9876536 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.9876536 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 119 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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