| CAS Number | 1234616-33-1 |
| Catalog Number | AG000KMC(AGN-PC-0WBSFN) |
| Chemical Name | 1H-Indazole-5-carboxylic acid, 3-iodo-1-methyl- |
| IUPAC Name | 3-iodo-1-methylindazole-5-carboxylic acid |
| InChI | InChI=1S/C9H7IN2O2/c1-12-7-3-2-5(9(13)14)4-6(7)8(10)11-12/h2-4H,1H3,(H,13,14) |
| InChI Key | STFILDDHMDTELI-UHFFFAOYSA-N |
| MDL Number | MFCD15071441 |
| Molecular Formula | C9H7IN2O2 |
| Molecular Weight | 302.0686 |
| SMILES | O=C(C1=CC2=C(N(C)N=C2I)C=C1)O |
| Synonyms | 1234616-33-1,
3-IODO-1-METHYLINDAZOLE-5-CARBOXYLIC ACID,
3-IODO-1-METHYL-1H-INDAZOLE-5-CARBOXYLIC ACID,
KS-000003AK,
MFCD15071441,
ZINC95627682,
AKOS025146576,
FCH1388022,
PB26975,
AK165437,
AS-51041,
ST1100587,
3-Iodo-1-methyl-indazole-5-carboxylic acid,
CS-0051320,
Q-2001,
1H-Indazole-5-carboxylic acid, 3-iodo-1-methyl-,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.071g/mol |
| Monoisotopic Mass | 301.955g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number