| CAS Number | 870761-09-4 |
| Catalog Number | AG004MVK(AGN-PC-0LWTB4) |
| Chemical Name | 1-[4-(Bromoacetyl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 1-[4-(2-bromoacetyl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C12H12BrNO2/c13-8-11(15)9-3-5-10(6-4-9)14-7-1-2-12(14)16/h3-6H,1-2,7-8H2 |
| InChI Key | XKILSOKYMDEVDN-UHFFFAOYSA-N |
| MDL Number | MFCD07345533 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.1332 |
| SMILES | BrCC(C1=CC=C(N2C(=O)CCC2)C=C1)=O |
| Synonyms | 870761-09-4,
1-[4-(BROMOACETYL)PHENYL]-2-PYRROLIDINONE,
1-[4-(2-bromoacetyl)phenyl]pyrrolidin-2-one,
AC1OFK0I,
AC1Q27E7,
SCHEMBL17382470,
CTK5F7728,
DTXSID50427869,
ZINC4218328,
MFCD07345533,
AKOS000118377,
MCULE-8908142394,
BS-14051,
1-[4-(bromoacetyl)phenyl]pyrrolidin-2-one,
RT-006491,
FT-0663631,
EN300-14466,
1-[4-(2-Bromoacetyl)phenyl]-2-pyrrolidinone,
ZINC04218328,
CID7130814,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.137g/mol |
| Monoisotopic Mass | 281.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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