| CAS Number | 474706-38-2 |
| Catalog Number | AG003KYS(AGN-PC-0WNORR) |
| Chemical Name | 4-Bromo-5-(4-methoxyphenyl)pyrazole |
| IUPAC Name | 4-bromo-5-(4-methoxyphenyl)-1H-pyrazole |
| InChI | InChI=1S/C10H9BrN2O/c1-14-8-4-2-7(3-5-8)10-9(11)6-12-13-10/h2-6H,1H3,(H,12,13) |
| InChI Key | ZIFDJJKFCUVOJH-UHFFFAOYSA-N |
| MDL Number | MFCD11855867 |
| Molecular Formula | C10H9BrN2O |
| Molecular Weight | 253.0953 |
| SMILES | COc1ccc(cc1)c1[nH]ncc1Br |
| Synonyms | 474706-38-2,
4-BROMO-5-(4-METHOXYPHENYL)PYRAZOLE,
4-Bromo-5-(4-methoxyphenyl)-1H-pyrazole,
ACMC-209k9c,
SCHEMBL3850635,
DTXSID50621825,
ANW-30526,
MFCD11855867,
ZINC40456599,
AKOS015835030,
RTR-017507,
AJ-103242,
TR-017507,
FT-0730173,
V6091,
B-3520,
I14-24586,
C10H9BrN2O,
4-bromo-3-(4-methoxyphenyl)-1h-pyrazole,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.099g/mol |
| Monoisotopic Mass | 251.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number