| CAS Number | 301373-45-5 |
| Catalog Number | AG00I5NE(AGN-PC-0WO5SD) |
| Chemical Name | 4-(2-Bromophenyl)-1H-pyrazol-3-amine |
| IUPAC Name | 4-(2-bromophenyl)-1H-pyrazol-5-amine |
| InChI | InChI=1S/C9H8BrN3/c10-8-4-2-1-3-6(8)7-5-12-13-9(7)11/h1-5H,(H3,11,12,13) |
| InChI Key | HCJIHKIJPLXOHZ-UHFFFAOYSA-N |
| MDL Number | MFCD06825379 |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.0839 |
| SMILES | NC1=C(C2=C(Br)C=CC=C2)C=NN1 |
| Synonyms | 4-(2-bromophenyl)-1H-pyrazol-3-amine,
4-(2-BROMOPHENYL)-1H-PYRAZOL-5-AMINE,
301373-45-5,
BBL021952,
KM4618,
MFCD06825379,
STK894670,
ZINC12404933,
AKOS005143704,
AKOS008111580,
MCULE-8415795280,
NE27731,
AS-41783,
EN300-75247,
Z1267773776,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.088g/mol |
| Monoisotopic Mass | 236.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number