| CAS Number | 1297537-37-1 |
| Catalog Number | AG019EKN(AGN-PC-0WQVPZ) |
| Chemical Name | 2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile |
| EC Number | 941-761-7 |
| IUPAC Name | 2-chloro-4-(1H-pyrazol-5-yl)benzonitrile |
| InChI | InChI=1S/C10H6ClN3/c11-9-5-7(1-2-8(9)6-12)10-3-4-13-14-10/h1-5H,(H,13,14) |
| InChI Key | BCINLNFBTLIGBU-UHFFFAOYSA-N |
| MDL Number | MFCD28365702 |
| Molecular Formula | C10H6ClN3 |
| Molecular Weight | 203.6277 |
| SMILES | N#CC1=CC=C(C2=CC=NN2)C=C1Cl |
| Synonyms | 2-chloro-4-(1H-pyrazol-5-yl)benzonitrile,
1297537-37-1,
2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile,
SCHEMBL1810795,
BCINLNFBTLIGBU-UHFFFAOYSA-N,
MFCD28365702,
AKOS027429083,
SB18313,
2-chloro-4-(1H-pyrazol-5-yl)-benzonitrile,
CS-0035705,
EC 941-761-7,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.629g/mol |
| Monoisotopic Mass | 203.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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