| CAS Number | 141998-90-5 |
| Catalog Number | AG003LK7(AGN-PC-0035OV) |
| Chemical Name | 3-Iodo-1-phenyl-1H-pyrazole |
| IUPAC Name | 3-iodo-1-phenylpyrazole |
| InChI | InChI=1S/C9H7IN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H |
| InChI Key | RJCCRXXUBFGPBW-UHFFFAOYSA-N |
| MDL Number | MFCD12756563 |
| Molecular Formula | C9H7IN2 |
| Molecular Weight | 270.0697 |
| SMILES | IC1=NN(C2=CC=CC=C2)C=C1 |
| Synonyms | 3-iodo-1-phenyl-1H-pyrazole,
141998-90-5,
3-iodo-1-phenylpyrazole,
SCHEMBL17261505,
1H-Pyrazole, 3-iodo-1-phenyl-,
MFCD12756563,
ZINC67175700,
AKOS015991258,
BS-2010,
MCULE-8359788369,
NE58406,
KS-0000231I,
SC-94196,
DB-063412,
TC-069975,
FT-0732453,
EN300-94285,
Z1696844503,
4-IODO-1-PHENYL-1H-PYRAZOLE,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.073g/mol |
| Monoisotopic Mass | 269.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number