| CAS Number | 77509-92-3 |
| Catalog Number | AG00JCEK(AGN-PC-0KFCYA) |
| Chemical Name | 5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-chloro-1-(3-chlorophenyl)-3-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H8Cl2N2O/c1-7-10(6-16)11(13)15(14-7)9-4-2-3-8(12)5-9/h2-6H,1H3 |
| InChI Key | YSHYNOWWLSEUKJ-UHFFFAOYSA-N |
| MDL Number | MFCD03980997 |
| Molecular Formula | C11H8Cl2N2O |
| Molecular Weight | 255.1000 |
| SMILES | CC1C(C=O)=C(Cl)N(C2=CC(Cl)=CC=C2)N=1 |
| Synonyms | 5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde,
77509-92-3,
5-chloro-1-(3-chlorophenyl)-3-methylpyrazole-4-carbaldehyde,
AC1M5ZSS,
SCHEMBL11380421,
ALBB-010294,
KS-00001KE5,
ZINC3246477,
BBL003463,
MFCD03980997,
SBB050306,
STK520595,
AKOS001054010,
MCULE-3237356492,
R8207,
SR-01000042694,
SR-01000042694-1,
1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-(3-chlorophenyl)-3-methyl-,
ZINC03246477,
CID2363724,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.098g/mol |
| Monoisotopic Mass | 254.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number