| CAS Number | 1017781-27-9 |
| Catalog Number | AG0005GY(AGN-PC-0WD67B) |
| Chemical Name | 5-(3-Bromophenyl)-2-methylpyrazol-3-amine |
| IUPAC Name | 5-(3-bromophenyl)-2-methylpyrazol-3-amine |
| InChI | InChI=1S/C10H10BrN3/c1-14-10(12)6-9(13-14)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3 |
| InChI Key | WYMMPPWLBLRUNA-UHFFFAOYSA-N |
| MDL Number | MFCD06738293 |
| Molecular Formula | C10H10BrN3 |
| Molecular Weight | 252.1105 |
| SMILES | CN1C(N)=CC(C2=CC(Br)=CC=C2)=N1 |
| Synonyms | 1017781-27-9,
3-(3-BROMOPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE,
5-(3-BROMO-PHENYL)-2-METHYL-2H-PYRAZOL-3-YLAMINE,
5-(3-bromophenyl)-2-methylpyrazol-3-amine,
DTXSID90655609,
ZINC36938230,
AKOS009335181,
AB26825,
AJ-93485,
Z6404,
Z-7402,
C10H10BrN3,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.115g/mol |
| Monoisotopic Mass | 251.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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