| CAS Number | 1134997-99-1 |
| Catalog Number | AG01AGY8(AGN-PC-0WO8MD) |
| Chemical Name | 5-bromo-2-(1H-pyrazol-1-yl)aniline |
| IUPAC Name | 5-bromo-2-pyrazol-1-ylaniline |
| InChI | InChI=1S/C9H8BrN3/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H,11H2 |
| InChI Key | LNMGZDUQHMYCOQ-UHFFFAOYSA-N |
| MDL Number | MFCD09945634 |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.0839 |
| SMILES | NC1=C(N2N=CC=C2)C=CC(Br)=C1 |
| Synonyms | 5-bromo-2-(1H-pyrazol-1-yl)aniline,
1134997-99-1,
AC1Q50TA,
SCHEMBL16371832,
LNMGZDUQHMYCOQ-UHFFFAOYSA-N,
ZINC19506726,
AKOS000190353,
MCULE-3755994434,
NE18358,
EN300-73162,
Z1266854897,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.088g/mol |
| Monoisotopic Mass | 236.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number