| CAS Number | 773134-24-0 |
| Catalog Number | AG00ICTP |
| Chemical Name | Dimethyl 2-(3-bromophenyl)malonate |
| IUPAC Name | dimethyl 2-(3-bromophenyl)propanedioate |
| InChI | InChI=1S/C11H11BrO4/c1-15-10(13)9(11(14)16-2)7-4-3-5-8(12)6-7/h3-6,9H,1-2H3 |
| InChI Key | JXNAZEYUONMIGH-UHFFFAOYSA-N |
| MDL Number | MFCD06204200 |
| Molecular Formula | C11H11BrO4 |
| Molecular Weight | 287.1066 |
| SMILES | O=C(OC)C(C1=CC=CC(Br)=C1)C(OC)=O |
| Synonyms | Dimethyl 2-(3-bromophenyl)malonate,
773134-24-0,
SCHEMBL3655233,
JXNAZEYUONMIGH-UHFFFAOYSA-N,
MFCD06204200,
ZINC44200164,
AKOS027337808,
2-(3-bromo-phenyl)-malonic acid dimethyl ester,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.109g/mol |
| Monoisotopic Mass | 285.984g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number