| CAS Number | 1609401-39-9 |
| Catalog Number | AG00J237 |
| Chemical Name | [4-(5-chloro-3-methyl-1H-pyrazol-1-yl)phenyl]amine hydrochloride |
| IUPAC Name | 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride |
| InChI | InChI=1S/C10H10ClN3.ClH/c1-7-6-10(11)14(13-7)9-4-2-8(12)3-5-9;/h2-6H,12H2,1H3;1H |
| InChI Key | MVYGTYKCEISQCG-UHFFFAOYSA-N |
| MDL Number | MFCD26959438 |
| Molecular Formula | C10H11Cl2N3 |
| Molecular Weight | 244.1204 |
| SMILES | N1(C2C=CC(=CC=2)N)N=C(C=C1Cl)C.Cl |
| Synonyms | 1609401-39-9,
[4-(5-chloro-3-methyl-1H-pyrazol-1-yl)phenyl]amine hydrochloride,
ZX-CM007846,
MFCD26959438,
4-(5-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)ANILINE HYDROCHLORIDE,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.119g/mol |
| Monoisotopic Mass | 243.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number