6-Bromo-3-butyl-1H-indazole - CAS 1314987-32-0
Catalog: |
BB071474 |
Product Name: |
6-Bromo-3-butyl-1H-indazole |
CAS: |
1314987-32-0 |
Synonyms: |
6-Bromo-3-butyl-1H-indazole; 6-bromo-3-butyl-2H-indazole |
IUPAC Name: | 6-bromo-3-butyl-2H-indazole |
Description: | 6-Bromo-3-butyl-1H-indazole |
Molecular Weight: | 253.14 |
Molecular Formula: | C11H13BrN2 |
Canonical SMILES: | CCCCC1=C2C=CC(=CC2=NN1)Br |
InChI: | InChI=1S/C11H13BrN2/c1-2-3-4-10-9-6-5-8(12)7-11(9)14-13-10/h5-7H,2-4H2,1H3,(H,13,14) |
InChI Key: | YUYWWOCCPQJSDL-UHFFFAOYSA-N |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.02621 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.02621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 28.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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