| CAS Number | 672324-82-2 |
| Catalog Number | AG00IBOV(AGN-PC-035C5P) |
| Chemical Name | tert-Butyl (4-(chloromethyl)pyridin-2-yl)carbamate |
| IUPAC Name | tert-butyl N-[4-(chloromethyl)pyridin-2-yl]carbamate |
| InChI | InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9/h4-6H,7H2,1-3H3,(H,13,14,15) |
| InChI Key | HMQFDFGFYVYALU-UHFFFAOYSA-N |
| MDL Number | MFCD13188961 |
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.7020 |
| SMILES | CC(OC(NC1=NC=CC(CCl)=C1)=O)(C)C |
| Synonyms | tert-Butyl (4-(chloromethyl)pyridin-2-yl)carbamate,
672324-82-2,
tert-butyl [4-(chloromethyl)pyridin-2-yl]carbamate,
tert-butyl(4-(chloromethyl)pyridin-2-yl)carbamate,
SCHEMBL12953977,
DTXSID10610432,
HMQFDFGFYVYALU-UHFFFAOYSA-N,
0342AC,
ZINC91301444,
AKOS016011675,
AB67460,
AJ-129666,
TERT-BUTYL 4-(CHLOROMETHYL)PYRIDIN-2-YLCARBAMATE,
C11H15ClN2O2,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.703g/mol |
| Monoisotopic Mass | 242.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number