| CAS Number | 1418287-34-9 |
| Catalog Number | AG00HW8M(AGN-PC-0WD7YA) |
| Chemical Name | 1-tert-Butyl2-methyl4-chloro-1H-pyrrolo[3,2-c]pyridine-1,2-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 2-O-methyl 4-chloropyrrolo[3,2-c]pyridine-1,2-dicarboxylate |
| InChI | InChI=1S/C14H15ClN2O4/c1-14(2,3)21-13(19)17-9-5-6-16-11(15)8(9)7-10(17)12(18)20-4/h5-7H,1-4H3 |
| InChI Key | QOJGQNHTEGTDTR-UHFFFAOYSA-N |
| MDL Number | MFCD23703283 |
| Molecular Formula | C14H15ClN2O4 |
| Molecular Weight | 310.7329 |
| SMILES | ClC1=NC=CC2=C1C=C(N2C(=O)OC(C)(C)C)C(=O)OC |
| Synonyms | 1-TERT-BUTYL 2-METHYL 4-CHLORO-1H-PYRROLO[3,2-C]PYRIDINE-1,2-DICARBOXYLATE,
1418287-34-9,
SCHEMBL14643957,
QOJGQNHTEGTDTR-UHFFFAOYSA-N,
SB13262,
1-tert-butyl2-methyl4-chloro-1H-pyrrolo[3,2-c]pyridine-1,2-dicarboxylate,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.734g/mol |
| Monoisotopic Mass | 310.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number