| CAS Number | 956986-59-7 |
| Catalog Number | AG00IJCW |
| Chemical Name | 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile |
| IUPAC Name | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile |
| InChI | InChI=1S/C13H13N3/c1-10-9-11(2)16(15-10)13-5-3-12(4-6-13)7-8-14/h3-6,9H,7H2,1-2H3 |
| InChI Key | OKHRZEVOJOUREQ-UHFFFAOYSA-N |
| MDL Number | MFCD07329987 |
| Molecular Formula | C13H13N3 |
| Molecular Weight | 211.2624 |
| SMILES | CC1=NN(C2=CC=C(CC#N)C=C2)C(C)=C1 |
| Synonyms | 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile,
956986-59-7,
[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile,
EN300-14063,
AC1NLR63,
AC1Q2IG5,
HMS1750C20,
ZINC4207289,
MFCD07329987,
AKOS009017305,
MCULE-6020321909,
NE13532,
SR-01000073148,
SR-01000073148-1,
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile,
Z96092038,
ZINC04207289,
CID4962802,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.268g/mol |
| Monoisotopic Mass | 211.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number