| CAS Number | 57211-65-1 |
| Catalog Number | AG00IA76(AGN-PC-0NI747) |
| Chemical Name | 1-(3-Chlorophenyl)pyrazole |
| IUPAC Name | 1-(3-chlorophenyl)pyrazole |
| InChI | InChI=1S/C9H7ClN2/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H |
| InChI Key | UKTWBTORFIIARB-UHFFFAOYSA-N |
| MDL Number | MFCD11845709 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | ClC1=CC(N2N=CC=C2)=CC=C1 |
| Synonyms | 1-(3-chlorophenyl)pyrazole,
57211-65-1,
1-(3-CHLORO-PHENYL)-1H-PYRAZOLE,
1-(3-chlorophenyl)-1H-pyrazole,
(3-chlorophenyl)pyrazole,
SCHEMBL173839,
CTK6H2688,
UKTWBTORFIIARB-UHFFFAOYSA-N,
1H-Pyrazole, 1-(3-chlorophenyl)-,
MFCD11845709,
SBB089488,
ZINC35728287,
AKOS009582175,
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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 |
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Certificate of Analysis
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