| CAS Number | 873009-49-5 |
| Catalog Number | AG01C2CU(AGN-PC-02GBL9) |
| Chemical Name | 4-(4-methyl-1H-pyrazol-1-yl)benzonitrile |
| IUPAC Name | 4-(4-methylpyrazol-1-yl)benzonitrile |
| InChI | InChI=1S/C11H9N3/c1-9-7-13-14(8-9)11-4-2-10(6-12)3-5-11/h2-5,7-8H,1H3 |
| InChI Key | LDNOHDUJNAVWFT-UHFFFAOYSA-N |
| MDL Number | MFCD08559104 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | CC1=CN(C2=CC=C(C#N)C=C2)N=C1 |
| Synonyms | 4-(4-methyl-1H-pyrazol-1-yl)benzonitrile,
873009-49-5,
4-(4-methylpyrazolyl)benzenecarbonitrile,
SCHEMBL1159675,
CTK7C7847,
LDNOHDUJNAVWFT-UHFFFAOYSA-N,
SBB024561,
STK351531,
ZINC12395626,
AKOS000319226,
MCULE-2711013505,
ST45123424,
Z2106597800,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.214g/mol |
| Monoisotopic Mass | 183.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number