| CAS Number | 1314988-13-0 |
| Catalog Number | AG000WCN(AGN-PC-0WAB60) |
| Chemical Name | 5-Bromo-3-butyl-1H-indazole |
| IUPAC Name | 5-bromo-3-butyl-2H-indazole |
| InChI | InChI=1S/C11H13BrN2/c1-2-3-4-10-9-7-8(12)5-6-11(9)14-13-10/h5-7H,2-4H2,1H3,(H,13,14) |
| InChI Key | ZDURTHFQVOZAKO-UHFFFAOYSA-N |
| MDL Number | MFCD19684137 |
| Molecular Formula | C11H13BrN2 |
| Molecular Weight | 253.1383 |
| SMILES | CCCCc1n[nH]c2c1cc(Br)cc2 |
| Synonyms | 5-Bromo-3-butyl-1H-indazole,
1314988-13-0,
5-bromo-3-butyl-2H-indazole,
ACMC-209bmw,
CTK8B0129,
DTXSID50716644,
1H-Indazole, 5-bromo-3-butyl-,
ANW-19350,
MFCD19684137,
ZINC74937911,
AKOS015898093,
FCH1359339,
AJ-121500,
AX8231499,
TC-108095,
ST24023937,
Z9617,
B-7107,
I10-877,
C11H13BrN2,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.143g/mol |
| Monoisotopic Mass | 252.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number