| CAS Number | 1093879-99-2 |
| Catalog Number | AG00HBGE(AGN-PC-0CZ4M9) |
| Chemical Name | methyl 6-chloro-2-(chloromethyl)nicotinate |
| IUPAC Name | methyl 6-chloro-2-(chloromethyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-3-7(10)11-6(5)4-9/h2-3H,4H2,1H3 |
| InChI Key | TUJJDUMNJRNYGZ-UHFFFAOYSA-N |
| MDL Number | MFCD16658090 |
| Molecular Formula | C8H7Cl2NO2 |
| Molecular Weight | 220.0527 |
| SMILES | COC(C1=C(CCl)N=C(Cl)C=C1)=O |
| Synonyms | METHYL 6-CHLORO-2-(CHLOROMETHYL)NICOTINATE,
1093879-99-2,
methyl 6-chloro-2-(chloromethyl)pyridine-3-carboxylate,
SCHEMBL1249445,
DTXSID20732316,
TUJJDUMNJRNYGZ-UHFFFAOYSA-N,
MFCD16658090,
ZINC95836061,
FCH1346725,
AS-42417,
AJ-135206,
AX8287878,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.049g/mol |
| Monoisotopic Mass | 218.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number