| CAS Number | 40740-42-9 |
| Catalog Number | AG00D6IZ(AGN-PC-0WAZE7) |
| Chemical Name | methyl 4-iodo-1-methyl-1H-pyrrole-2-carboxylate |
| IUPAC Name | methyl 4-iodo-1-methylpyrrole-2-carboxylate |
| InChI | InChI=1S/C7H8INO2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,1-2H3 |
| InChI Key | KSDPSEQHPJJWMC-UHFFFAOYSA-N |
| MDL Number | MFCD22383936 |
| Molecular Formula | C7H8INO2 |
| Molecular Weight | 265.0484 |
| SMILES | COC(C1N(C)C=C(I)C=1)=O |
| Synonyms | methyl 4-iodo-1-methyl-1H-pyrrole-2-carboxylate,
40740-42-9,
SCHEMBL7709312,
DTXSID80618526,
KSDPSEQHPJJWMC-UHFFFAOYSA-N,
KS-000024WW,
ZX-RL000543,
2802AE,
MFCD22383936,
ZINC76818128,
AKOS015996928,
EG-0735,
FCH1634146,
MCULE-6582254432,
OR303043,
methyl 4-iodo-1-methylpyrrole-2-carboxylate,
methyl N-methyl-4-iodo-2-pyrrolecarboxylate,
C7H8INO2,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.05g/mol |
| Monoisotopic Mass | 264.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number