| CAS Number | 1363382-30-2 |
| Catalog Number | AG0011PY(AGN-PC-0WCKP7) |
| Chemical Name | 1H-Indazole-6-carboxylic acid, 3-bromo-1-methyl- |
| IUPAC Name | 3-bromo-1-methylindazole-6-carboxylic acid |
| InChI | InChI=1S/C9H7BrN2O2/c1-12-7-4-5(9(13)14)2-3-6(7)8(10)11-12/h2-4H,1H3,(H,13,14) |
| InChI Key | DMDCLOZQWPLXRK-UHFFFAOYSA-N |
| MDL Number | MFCD21642006 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | O=C(C1=CC2=C(C=C1)C(Br)=NN2C)O |
| Synonyms | 3-BROMO-1-METHYL-1H-INDAZOLE-6-CARBOXYLIC ACID,
1363382-30-2,
MFCD21642006,
ZINC95743257,
AKOS023568440,
PB37622,
SB19858,
CS-0054603,
Q-2210,
1H-Indazole-6-carboxylic acid, 3-bromo-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 | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number