| CAS Number | 1227573-06-9 |
| Catalog Number | AG000JB5(AGN-PC-09T3MD) |
| Chemical Name | 3-Bromo-4-(chloromethyl)-5-fluoropyridine |
| IUPAC Name | 3-bromo-4-(chloromethyl)-5-fluoropyridine |
| InChI | InChI=1S/C6H4BrClFN/c7-5-2-10-3-6(9)4(5)1-8/h2-3H,1H2 |
| InChI Key | ADGHVVFPSJRQBB-UHFFFAOYSA-N |
| MDL Number | MFCD16608187 |
| Molecular Formula | C6H4BrClFN |
| Molecular Weight | 224.4581 |
| SMILES | FC1=C(CCl)C(Br)=CN=C1 |
| Synonyms | 3-BROMO-4-(CHLOROMETHYL)-5-FLUOROPYRIDINE,
1227573-06-9,
SCHEMBL17197201,
DTXSID70700085,
5825AJ,
MFCD16608187,
ZINC95725457,
AKOS025404314,
QC-7077,
TRA0046517,
CJ-22745,
SY023869,
AB0057449,
Pyridine, 3-bromo-4-(chloromethyl)-5-fluoro-,
Z-3462,
MFCD16608187 (95+%),
C6H4BrClFN,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.457g/mol |
| Monoisotopic Mass | 222.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number