| CAS Number | 1067902-28-6 |
| Catalog Number | AG007U05(AGN-PC-0OWFHS) |
| Chemical Name | Benzyl 6-chloropyridine-3-carboxylate |
| IUPAC Name | benzyl 6-chloropyridine-3-carboxylate |
| InChI | InChI=1S/C13H10ClNO2/c14-12-7-6-11(8-15-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | MEXMCDINMYSBTD-UHFFFAOYSA-N |
| MDL Number | MFCD11045600 |
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.6770 |
| SMILES | ClC1=NC=C(C(OCC2=CC=CC=C2)=O)C=C1 |
| Synonyms | BENZYL 6-CHLORONICOTINATE,
1067902-28-6,
benzyl 6-chloropyridine-3-carboxylate,
3-Pyridinecarboxylicacid, 6-chloro-, phenylmethyl ester,
SCHEMBL4130439,
CTK4A4766,
DTXSID80679657,
MEXMCDINMYSBTD-UHFFFAOYSA-N,
ZINC48545263,
AKOS008904123,
DB-059507,
FT-0760664,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.678g/mol |
| Monoisotopic Mass | 247.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number