| CAS Number | 1037840-79-1 |
| Catalog Number | AG007X4F(AGN-PC-0WD0S5) |
| Chemical Name | Methyl 5-bromo-1H-indazole-4-carboxylate |
| IUPAC Name | methyl 5-bromo-1H-indazole-4-carboxylate |
| InChI | InChI=1S/C9H7BrN2O2/c1-14-9(13)8-5-4-11-12-7(5)3-2-6(8)10/h2-4H,1H3,(H,11,12) |
| InChI Key | ZVKNYIAOEMIAKP-UHFFFAOYSA-N |
| MDL Number | MFCD13177017 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | C(=O)(OC)c1c2c(ccc1Br)[nH]nc2 |
| Synonyms | Methyl 5-bromo-1H-indazole-4-carboxylate,
1037840-79-1,
1H-Indazole-4-carboxylic acid, 5-bromo-, methyl ester,
SCHEMBL543204,
CTK8C0254,
DTXSID40731109,
ZVKNYIAOEMIAKP-UHFFFAOYSA-N,
0901AA,
ANW-64393,
MFCD13177017,
ZINC80443079,
AKOS016006119,
AC-30515,
AJ-123900,
TC-153138,
4CH-002869,
L-1464,
5-Bromo-1H-indazole-4-carboxylic acid methyl ester,
C9H7BrN2O2,
|
| Complexity | 237 |
| 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 | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number