| CAS Number | 881734-66-3 |
| Catalog Number | AG00IQDA(AGN-PC-0VJK25) |
| Chemical Name | (6-Chloropyridin-3-yl)methyl acetate |
| IUPAC Name | (6-chloropyridin-3-yl)methyl acetate |
| InChI | InChI=1S/C8H8ClNO2/c1-6(11)12-5-7-2-3-8(9)10-4-7/h2-4H,5H2,1H3 |
| InChI Key | LWRPSHVPTVBZEK-UHFFFAOYSA-N |
| MDL Number | MFCD04973731 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | CC(OCC1=CN=C(Cl)C=C1)=O |
| Synonyms | (6-chloropyridin-3-yl)methyl acetate,
(6-chloro-3-pyridinyl)methyl acetate,
881734-66-3,
chloropyridinylmethylacetate,
AC1MC949,
SCHEMBL2134732,
CTK6A2591,
LWRPSHVPTVBZEK-UHFFFAOYSA-N,
ZINC169346,
(6-chloro-3-pyridyl)methyl acetate,
MFCD04973731,
SBB090335,
AKOS005070631,
MCULE-8909836731,
RP11049,
KS-00001X58,
AJ-17130,
TR-063449,
4X-0830,
ZINC00169346,
CID2763988,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number