| CAS Number | 864724-65-2 |
| Catalog Number | AG00IE35(AGN-PC-0OKEHX) |
| Chemical Name | 1H-Indazole, 3-iodo-1-methyl-7-nitro- |
| IUPAC Name | 3-iodo-1-methyl-7-nitroindazole |
| InChI | InChI=1S/C8H6IN3O2/c1-11-7-5(8(9)10-11)3-2-4-6(7)12(13)14/h2-4H,1H3 |
| InChI Key | GRTDGGAGEQHRFL-UHFFFAOYSA-N |
| MDL Number | MFCD21642038 |
| Molecular Formula | C8H6IN3O2 |
| Molecular Weight | 303.0566 |
| SMILES | IC1=NN(C2=C(C=CC=C12)[N+](=O)[O-])C |
| Synonyms | 3-IODO-1-METHYL-7-NITRO-1H-INDAZOLE,
864724-65-2,
MFCD21642038,
ZINC95708087,
1-Methyl-3-iodo-7-nitro-1H-indazole,
PB27285,
1H-Indazole, 3-iodo-1-methyl-7-nitro-,
AS-51568,
CS-0051316,
Q-1705,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.059g/mol |
| Monoisotopic Mass | 302.95g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number