| CAS Number | 1029636-42-7 |
| Catalog Number | AG00H9W2(AGN-PC-0WBS1R) |
| Chemical Name | 3-(Difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazole |
| IUPAC Name | 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole |
| InChI | InChI=1S/C11H10F2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(11(12)13)15-14-9/h2-6,11H,1H3,(H,14,15) |
| InChI Key | RQTLTZHBBOVPLZ-UHFFFAOYSA-N |
| MDL Number | MFCD04039282 |
| Molecular Formula | C11H10F2N2O |
| Molecular Weight | 224.2067 |
| SMILES | FC(F)C1(=NNC(=C1)C2(=CC=C(OC)C=C2)) |
| Synonyms | 3-Difluoromethyl-5-(4-methoxyphenyl)pyrazole,
1029636-42-7,
3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazole,
AC1MD2HS,
CTK7A2698,
KS-00003QUF,
ZX-AP002325,
MFCD04039282,
PC4849,
SBB096625,
ZINC16159158,
AKOS005254973,
PS-6644,
1-[3-(difluoromethyl)pyrazol-5-yl]-4-methoxybenzene,
5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole,
3-difluoromethyl-5-(4-methoxyphenyl)pyrazole, AldrichCPR,
CID2782519,
3-(difluoromethyl)-5-(4-methoxyphenyl)-2H-pyrazole,
3(5)-Difluoromethyl-5(3)-(4-methoxyphenyl)pyrazole 100g,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.211g/mol |
| Monoisotopic Mass | 224.076g/mol |
| Rotatable Bond Count | 3 |
| 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
Certificate of Analysis
Lot Number