| CAS Number | 377767-11-8 |
| Catalog Number | AG00JSQ6(AGN-PC-0WONVC) |
| Chemical Name | 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H8ClFN2O/c1-7-10(6-16)11(12)15(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3 |
| InChI Key | YVYLXEJFBVNCRQ-UHFFFAOYSA-N |
| MDL Number | MFCD02711490 |
| Molecular Formula | C11H8ClFN2O |
| Molecular Weight | 238.6454 |
| SMILES | O=CC1=C(Cl)N(C2=CC=C(F)C=C2)N=C1C |
| Synonyms | 377767-11-8,
5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde,
AC1M5HTN,
SCHEMBL15329669,
DTXSID70368124,
5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbaldehyde,
KS-00001KE2,
ZINC3208021,
MFCD02711490,
AKOS008966362,
MCULE-6517251077,
NE12243,
SR-01000030111,
SR-01000030111-1,
I14-15509,
T0504-9586,
ZINC03208021,
CID2329098,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.646g/mol |
| Monoisotopic Mass | 238.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number