| CAS Number | 1400645-25-1 |
| Catalog Number | AG009WXY(AGN-PC-0WAK2D) |
| Chemical Name | 3-(4-Bromophenyl)-1-isopropylpyrazole |
| IUPAC Name | 3-(4-bromophenyl)-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C12H13BrN2/c1-9(2)15-8-7-12(14-15)10-3-5-11(13)6-4-10/h3-9H,1-2H3 |
| InChI Key | OHLLJFAQBMVRSI-UHFFFAOYSA-N |
| MDL Number | MFCD22421503 |
| Molecular Formula | C12H13BrN2 |
| Molecular Weight | 265.1490 |
| SMILES | CC(N1N=C(C2=CC=C(Br)C=C2)C=C1)C |
| Synonyms | 3-(4-Bromophenyl)-1-isopropylpyrazole,
1400645-25-1,
3-(4-BROMOPHENYL)-1-(PROPAN-2-YL)-1H-PYRAZOLE,
SCHEMBL16595866,
KM3813,
ZINC95495564,
AKOS026673255,
V3024,
Z2275298122,
C12H13BrN2,
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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 | 264.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.154g/mol |
| Monoisotopic Mass | 264.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number