| CAS Number | 1152858-05-3 |
| Catalog Number | AG01BU81 |
| Chemical Name | 4-bromo-N-[(1-methyl-1H-pyrazol-4-yl)methyl]aniline |
| IUPAC Name | 4-bromo-N-[(1-methylpyrazol-4-yl)methyl]aniline |
| InChI | InChI=1S/C11H12BrN3/c1-15-8-9(7-14-15)6-13-11-4-2-10(12)3-5-11/h2-5,7-8,13H,6H2,1H3 |
| InChI Key | YEVABTBROFDZLX-UHFFFAOYSA-N |
| MDL Number | MFCD11155523 |
| Molecular Formula | C11H12BrN3 |
| Molecular Weight | 266.1371 |
| SMILES | CN1N=CC(CNC2=CC=C(Br)C=C2)=C1 |
| Synonyms | 4-bromo-N-[(1-methyl-1H-pyrazol-4-yl)methyl]aniline,
1152858-05-3,
ZINC20075158,
AKOS000262433,
Z137594324,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.142g/mol |
| Monoisotopic Mass | 265.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number