| CAS Number | 107856-31-5 |
| Catalog Number | AG00848D(AGN-PC-07XTWZ) |
| Chemical Name | 5-Amino-4-cyano-1-(2-chlorophenyl)-3-methylpyrazole |
| IUPAC Name | 5-amino-1-(2-chlorophenyl)-3-methylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C11H9ClN4/c1-7-8(6-13)11(14)16(15-7)10-5-3-2-4-9(10)12/h2-5H,14H2,1H3 |
| InChI Key | KALBLBGKEQSQEE-UHFFFAOYSA-N |
| MDL Number | MFCD10699686 |
| Molecular Formula | C11H9ClN4 |
| Molecular Weight | 232.6690 |
| SMILES | Cc1nn(c(N)c1C#N)c2ccccc2Cl |
| Synonyms | 107856-31-5,
5-AMINO-4-CYANO-1-(2-CHLOROPHENYL)-3-METHYLPYRAZOLE,
5-Amino-1-(2-chlorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile,
ACMC-1C67M,
CTK4A5743,
DTXSID00674523,
ANW-15856,
MFCD10699686,
ZINC38537066,
AKOS015854804,
RTR-001872,
AJ-95851,
CJ-19348,
TR-001872,
A-4883,
I14-25480,
KALBLBGKEQSQEE-UHFFFAOYSA-N,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.671g/mol |
| Monoisotopic Mass | 232.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number