| CAS Number | 301373-51-3 |
| Catalog Number | AG00I5NF(AGN-PC-0O8Q2Y) |
| Chemical Name | 4-(3-bromophenyl)-1H-pyrazol-3-amine |
| IUPAC Name | 4-(3-bromophenyl)-1H-pyrazol-5-amine |
| InChI | InChI=1S/C9H8BrN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13) |
| InChI Key | YHVUISAHXAWXIC-UHFFFAOYSA-N |
| MDL Number | MFCD09878860 |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.0839 |
| SMILES | NC1=C(C2=CC(Br)=CC=C2)C=NN1 |
| Synonyms | 4-(3-bromophenyl)-1H-pyrazol-3-amine,
301373-51-3,
4-(3-BROMOPHENYL)-1H-PYRAZOL-5-AMINE,
SCHEMBL17730418,
ZX-BK002869,
BBL021946,
KM4355,
MFCD09878860,
STK894664,
ZINC12404927,
AKOS005143713,
MCULE-9783945662,
AP3-0222,
AS-41785,
1H-Pyrazol-3-amine, 4-(3-bromophenyl)-,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number