| CAS Number | 55432-06-9 |
| Catalog Number | AG019JUO(AGN-PC-0KEXJV) |
| Chemical Name | 4-(chloromethyl)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole |
| IUPAC Name | 4-(chloromethyl)-3-(4-chlorophenyl)-1-phenylpyrazole |
| InChI | InChI=1S/C16H12Cl2N2/c17-10-13-11-20(15-4-2-1-3-5-15)19-16(13)12-6-8-14(18)9-7-12/h1-9,11H,10H2 |
| InChI Key | JNYLUNACJAOEIB-UHFFFAOYSA-N |
| MDL Number | MFCD02714779 |
| Molecular Formula | C16H12Cl2N2 |
| Molecular Weight | 303.1859 |
| SMILES | ClC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2CCl)C=C1 |
| Synonyms | 4-(chloromethyl)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole,
55432-06-9,
AC1M5PZM,
AC1Q3U2E,
SCHEMBL11255223,
CTK6H6685,
ZINC3215429,
AKOS000117500,
MCULE-2776079535,
NE12255,
EN300-10466,
J-513696,
4-(chloromethyl)-3-(4-chlorophenyl)-1-phenylpyrazole,
ZINC03215429,
CID2333890,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.186g/mol |
| Monoisotopic Mass | 302.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number