| CAS Number | 1206973-14-9 |
| Catalog Number | AG00HFOO(AGN-PC-0WD8HH) |
| Chemical Name | Methyl 4-(chloromethyl)picolinate |
| IUPAC Name | methyl 4-(chloromethyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C8H8ClNO2/c1-12-8(11)7-4-6(5-9)2-3-10-7/h2-4H,5H2,1H3 |
| InChI Key | UHRXRHOHZFCVDN-UHFFFAOYSA-N |
| MDL Number | MFCD18256215 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | O=C(OC)C1=NC=CC(CCl)=C1 |
| Synonyms | 1206973-14-9,
Methyl 4-(chloromethyl)pyridine-2-carboxylate,
Methyl 4-(chloromethyl)picolinate,
methyl4-(chloromethyl)pyridine-2-carboxylate,
SCHEMBL15210649,
MFCD18256215,
ZINC220766123,
FCH1135690,
KS-000004V8,
AS-53248,
AX8270918,
CS-0049067,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331-H341
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
|
|
Signal Words
|
danger
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number