| CAS Number | 65996-17-0 |
| Catalog Number | AG00FLCV(AGN-PC-000CDE) |
| Chemical Name | 2-Bromo-4-methyl-nicotinic acid ethyl ester |
| IUPAC Name | ethyl 2-bromo-4-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C9H10BrNO2/c1-3-13-9(12)7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3 |
| InChI Key | DACPMMXAXKJTNU-UHFFFAOYSA-N |
| MDL Number | MFCD01761273 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | O=C(C1=C(C)C=CN=C1Br)OCC |
| Synonyms | 2-Bromo-4-methyl-nicotinic acid ethyl ester,
65996-17-0,
ethyl 2-bromo-4-methylnicotinate,
ethyl 2-bromo-4-methylpyridine-3-carboxylate,
2-bromo-4-methyl-3-pyridinecarboxylic acid ethyl ester,
PubChem23852,
SCHEMBL1260935,
CTK6F5206,
DTXSID00555565,
ZX-RL004344,
7569AE,
MFCD16610942,
ZINC34223672,
AKOS015838681,
AS-5619,
FCH1344849,
KS-00003H49,
BC004980,
OR300613,
TR-071881,
C9H10BrNO2,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number