| CAS Number | 51412-23-8 |
| Catalog Number | AG006W80(AGN-PC-0L4RDN) |
| Chemical Name | 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile |
| IUPAC Name | 2-(1-phenylpyrazol-4-yl)acetonitrile |
| InChI | InChI=1S/C11H9N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6H2 |
| InChI Key | BWPUFKQLCCDCHQ-UHFFFAOYSA-N |
| MDL Number | MFCD01995560 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | N#CCC1=CN(C2=CC=CC=C2)N=C1 |
| Synonyms | 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile,
(1-phenyl-1H-pyrazol-4-yl)acetonitrile,
51412-23-8,
2-(1-phenylpyrazol-4-yl)acetonitrile,
AC1N3NNI,
AC1Q4S1N,
1-phenyl-4-pyrazolylacetonitrile,
CTK1G8366,
DTXSID50398984,
ZINC5948188,
AKOS001359213,
MCULE-6783437458,
NE24312,
EN300-26525,
Z57122698,
F0758-0120,
CID4067612,
|
| Complexity | 224 |
| 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 | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number