| CAS Number | 1185767-07-0 |
| Catalog Number | AG0091PZ(AGN-PC-0WAZ59) |
| Chemical Name | 4,6-difluoro-1-methyl-1H-indazole-5-carbaldehyde |
| IUPAC Name | 4,6-difluoro-1-methylindazole-5-carbaldehyde |
| InChI | InChI=1S/C9H6F2N2O/c1-13-8-2-7(10)6(4-14)9(11)5(8)3-12-13/h2-4H,1H3 |
| InChI Key | QGUXEYOVRCUBCM-UHFFFAOYSA-N |
| MDL Number | MFCD16658675 |
| Molecular Formula | C9H6F2N2O |
| Molecular Weight | 196.1535 |
| SMILES | O=CC1=C(F)C2=C(N(C)N=C2)C=C1F |
| Synonyms | 4,6-difluoro-1-methyl-1H-indazole-5-carbaldehyde,
1185767-07-0,
1H-Indazole-5-carboxaldehyde,4,6-difluoro-1-methyl-,
SCHEMBL1161211,
QGUXEYOVRCUBCM-UHFFFAOYSA-N,
ZINC82386108,
AKOS022697015,
KS-0000248F,
1H-Indazole-5-carboxaldehyde, 4,6-difluoro-1-methyl-,
CS-4374,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.157g/mol |
| Monoisotopic Mass | 196.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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