| CAS Number | 900019-58-1 |
| Catalog Number | AG00J20K(AGN-PC-0WB5BE) |
| Chemical Name | 4-[(4-bromo-1H-pyrrol-2-yl)carbonyl]morpholine |
| IUPAC Name | (4-bromo-1H-pyrrol-2-yl)-morpholin-4-ylmethanone |
| InChI | InChI=1S/C9H11BrN2O2/c10-7-5-8(11-6-7)9(13)12-1-3-14-4-2-12/h5-6,11H,1-4H2 |
| InChI Key | CJDKSSYFLPPHCW-UHFFFAOYSA-N |
| MDL Number | MFCD07021345 |
| Molecular Formula | C9H11BrN2O2 |
| Molecular Weight | 259.0998 |
| SMILES | C1(NC=C(Br)C=1)C(=O)N1CCOCC1 |
| Synonyms | 900019-58-1,
4-[(4-BROMO-1H-PYRROL-2-YL)CARBONYL]MORPHOLINE,
(4-bromo-1H-pyrrol-2-yl)(morpholino)methanone,
4-(4-bromo-1H-pyrrole-2-carbonyl)morpholine,
AC1OFC3H,
CTK5G7247,
KS-00002WYH,
DTXSID40427757,
ZINC4089732,
MFCD07021345,
AKOS009073828,
MCULE-9262579492,
AJ-47956,
Y-2654,
1Y-0813,
(4-bromo-1H-pyrrol-2-yl)-morpholin-4-ylmethanone,
ZINC04089732,
CID7096856,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.103g/mol |
| Monoisotopic Mass | 258g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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