| CAS Number | 917508-36-2 |
| Catalog Number | AG00IGV5(AGN-PC-03JGTY) |
| Chemical Name | 1-(2-Chlorophenyl)pyrazole |
| IUPAC Name | 1-(2-chlorophenyl)pyrazole |
| InChI | InChI=1S/C9H7ClN2/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H |
| InChI Key | AYXHPCKZSBQLEE-UHFFFAOYSA-N |
| MDL Number | MFCD12192626 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | ClC1=C(N2N=CC=C2)C=CC=C1 |
| Synonyms | 1-(2-chlorophenyl)-1H-pyrazole,
1-(2-Chlorophenyl)pyrazole,
917508-36-2,
AC1Q3HIM,
SCHEMBL255914,
1H-Pyrazole, 1-(2-chlorophenyl)-,
ZINC35728252,
AKOS009580212,
MCULE-5537372859,
NE22911,
EN300-62136,
Z1251171264,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.619g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^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