| CAS Number | 25419-86-7 |
| Catalog Number | AG00CDEL(AGN-PC-0NI746) |
| Chemical Name | 1-(4-Chlorophenyl)-1H-pyrazole |
| IUPAC Name | 1-(4-chlorophenyl)pyrazole |
| InChI | InChI=1S/C9H7ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H |
| InChI Key | CLGKHQCZJWOXGO-UHFFFAOYSA-N |
| MDL Number | MFCD11845711 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | Clc1ccc(cc1)n1cccn1 |
| Synonyms | 1-(4-chlorophenyl)-1H-pyrazole,
25419-86-7,
1-(4-chlorophenyl)pyrazole,
1-(4-CHLORO-PHENYL)-1H-PYRAZOLE,
(4-chlorophenyl)pyrazole,
1(4-chlorophenyl)pyrazole,
1-(4-chlorophenyl)pyrazol,
SCHEMBL182132,
CTK6H0446,
KS-00003GWN,
CLGKHQCZJWOXGO-UHFFFAOYSA-N,
1H-Pyrazole, 1-(4-chlorophenyl)-,
MFCD11845711,
SBB089483,
ZINC35728268,
AKOS009581003,
AS-5194,
SY233680,
MFCD11845711 (95%),
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| Complexity | 144 |
| 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