| CAS Number | 149105-06-6 |
| Catalog Number | AG001LDX(AGN-PC-02369H) |
| Chemical Name | (4-Bromo-3-methylphenyl)(morpholino)methanone |
| IUPAC Name | (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone |
| InChI | InChI=1S/C12H14BrNO2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3 |
| InChI Key | SGINYRFXUUMFLE-UHFFFAOYSA-N |
| MDL Number | MFCD09972130 |
| Molecular Formula | C12H14BrNO2 |
| Molecular Weight | 284.1491 |
| SMILES | O=C(C1=CC=C(Br)C(C)=C1)N2CCOCC2 |
| Synonyms | (4-Bromo-3-methylphenyl)(morpholino)methanone,
149105-06-6,
Methanone, (4-bromo-3-methylphenyl)-4-morpholinyl-,
SCHEMBL2378109,
SGINYRFXUUMFLE-UHFFFAOYSA-N,
ANW-74907,
MFCD09972130,
ZINC38536962,
AKOS016008638,
4-(4-Bromo-3-methylbenzoyl)morpholine,
AJ-95766,
TC-163652,
TR-006014,
B-3757,
(4-bromo-3-methyl-phenyl)-morpholin-4-yl-methanone,
(4-bromo-3-methylphenyl)(morpholin-4-yl)methanone,
( MORPHOLINE,
((4-BROMO-3-METHYLPHENYL)CARBONYL)MORPHOLINE,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.153g/mol |
| Monoisotopic Mass | 283.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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