| CAS Number | 887114-51-4 |
| Catalog Number | AG00898F(AGN-PC-09S1MW) |
| Chemical Name | 1-(4-Fluorobenzyl)-5-nitro-1H-indazole |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]-5-nitroindazole |
| InChI | InChI=1S/C14H10FN3O2/c15-12-3-1-10(2-4-12)9-17-14-6-5-13(18(19)20)7-11(14)8-16-17/h1-8H,9H2 |
| InChI Key | XZTQOLZBKIYIQF-UHFFFAOYSA-N |
| MDL Number | MFCD09909403 |
| Molecular Formula | C14H10FN3O2 |
| Molecular Weight | 271.2465 |
| SMILES | Fc1ccc(cc1)Cn1ncc2c1ccc(c2)[N+](=O)[O-] |
| Synonyms | 1-(4-FLUOROBENZYL)-5-NITRO-1H-INDAZOLE,
887114-51-4,
1H-Indazole,1-[(4-fluorophenyl)methyl]-5-nitro-,
SCHEMBL5435879,
CTK5G1250,
DTXSID50697984,
AB3766,
MFCD09909403,
ZINC73698715,
1-[(4-Fluorophenyl)methyl]-5-nitro-1H-indazole,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.251g/mol |
| Monoisotopic Mass | 271.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number