| CAS Number | 29985-03-3 |
| Catalog Number | AG00BHSE(AGN-PC-0NKDL7) |
| Chemical Name | 1-benzyl-3-bromo-1H-indazole |
| IUPAC Name | 1-benzyl-3-bromoindazole |
| InChI | InChI=1S/C14H11BrN2/c15-14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChI Key | DHBHSJONHUNOBH-UHFFFAOYSA-N |
| MDL Number | MFCD22689259 |
| Molecular Formula | C14H11BrN2 |
| Molecular Weight | 287.1545 |
| SMILES | BrC1C2=C(C=CC=C2)N(CC2=CC=CC=C2)N=1 |
| Synonyms | 1-Benzyl-3-bromo-1H-indazole,
29985-03-3,
1-benzyl-3-bromoindazole,
SCHEMBL1226080,
DHBHSJONHUNOBH-UHFFFAOYSA-N,
9698AH,
ZINC98181464,
FCH2895147,
SB16310,
AJ-142570,
AX8291571,
C14H11BrN2,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.16g/mol |
| Monoisotopic Mass | 286.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number