| CAS Number | 725710-55-4 |
| Catalog Number | AG00ICA3 |
| Chemical Name | 2-chloro-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-pyrrol-3-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone |
| InChI | InChI=1S/C13H18ClNO2/c1-9-6-12(13(16)7-14)10(2)15(9)8-11-4-3-5-17-11/h6,11H,3-5,7-8H2,1-2H3 |
| InChI Key | RONLMOPBVPHVIE-UHFFFAOYSA-N |
| MDL Number | MFCD03961617 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | CC1N(CC2OCCC2)C(C)=C(C(CCl)=O)C=1 |
| Synonyms | 2-chloro-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-pyrrol-3-yl]ethan-1-one,
725710-55-4,
2-chloro-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrol-3-yl]ethanone,
AC1MZ2KT,
AC1Q2HMZ,
MFCD03961617,
AKOS008966831,
MCULE-4491278789,
NE57713,
EN300-08223,
SR-01000038865,
SR-01000038865-1,
2-chloro-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone,
ZINC03261559,
CID3866016,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number