| CAS Number | 1159511-76-8 |
| Catalog Number | AG000H66(AGN-PC-0WD8WY) |
| Chemical Name | 1H-Indazole, 4-bromo-1,3-dimethyl- |
| IUPAC Name | 4-bromo-1,3-dimethylindazole |
| InChI | InChI=1S/C9H9BrN2/c1-6-9-7(10)4-3-5-8(9)12(2)11-6/h3-5H,1-2H3 |
| InChI Key | UYDBSDZCDWTRGM-UHFFFAOYSA-N |
| MDL Number | MFCD12028619 |
| Molecular Formula | C9H9BrN2 |
| Molecular Weight | 225.0852 |
| SMILES | CC1=NN(C)C2=C1C(Br)=CC=C2 |
| Synonyms | 4-Bromo-1,3-dimethyl-1H-indazole,
1159511-76-8,
SCHEMBL16506029,
CTK5I8627,
KS-000003LI,
ZX-AT015332,
MFCD12028619,
ZINC36533424,
1H-Indazole, 4-bromo-1,3-dimethyl-,
FCH1409521,
OR40123,
PB16475,
AS-50890,
CS-0051022,
Q-3448,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.089g/mol |
| Monoisotopic Mass | 223.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number