| CAS Number | 1252572-62-5 |
| Catalog Number | AG000NDR(AGN-PC-09PZEE) |
| Chemical Name | 4-Bromo-1-(4-methoxyphenyl)-3-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(4-methoxyphenyl)-3-methylpyrazole |
| InChI | InChI=1S/C11H11BrN2O/c1-8-11(12)7-14(13-8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3 |
| InChI Key | FMGQALJUFCKEGS-UHFFFAOYSA-N |
| MDL Number | MFCD15524620 |
| Molecular Formula | C11H11BrN2O |
| Molecular Weight | 267.1218 |
| SMILES | COc1ccc(cc1)n1cc(c(n1)C)Br |
| Synonyms | 4-Bromo-1-(4-methoxyphenyl)-3-methyl-1H-pyrazole,
1252572-62-5,
ACMC-209att,
CTK8A9585,
DTXSID90682051,
ANW-18303,
MFCD15524620,
ZINC65337197,
AKOS015908005,
SC-63473,
AJ-115033,
TC-107048,
Z8863,
A-3541,
1H-Pyrazole, 4-bromo-1-(4-methoxyphenyl)-3-methyl-,
I14-24730,
4-BROMO-1-(4-METHOXY-PHENYL)-3-METHYL-1H-PYRAZOLE,
C11H11BrN2O,
4-BROMO-1-(4-METHOXYPHENYL)-5-METHYLPYRAZOLE,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.126g/mol |
| Monoisotopic Mass | 266.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number