| CAS Number | 1785004-69-4 |
| Catalog Number | AG01DYYB |
| Chemical Name | tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate |
| InChI | InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14-5-7-4-13-8(11)6-12-7/h4,6H,5H2,1-3H3,(H,14,15) |
| InChI Key | FXTHKNGERJHEQO-UHFFFAOYSA-N |
| MDL Number | MFCD31556635 |
| Molecular Formula | C10H14ClN3O2 |
| Molecular Weight | 243.6901 |
| SMILES | CC(OC(NCC1=NC=C(Cl)N=C1)=O)(C)C |
| Synonyms | tert-butyl ((5-chloropyrazin-2-yl)methyl)carbamate,
1785004-69-4,
SCHEMBL18567056,
ZINC95936263,
tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.691g/mol |
| Monoisotopic Mass | 243.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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