| CAS Number | 73088-10-5 |
| Catalog Number | AG00ICCD(AGN-PC-008NBV) |
| Chemical Name | 1,3-dimethyl 2-(2-chloro-4-nitrophenyl)propanedioate |
| IUPAC Name | dimethyl 2-(2-chloro-4-nitrophenyl)propanedioate |
| InChI | InChI=1S/C11H10ClNO6/c1-18-10(14)9(11(15)19-2)7-4-3-6(13(16)17)5-8(7)12/h3-5,9H,1-2H3 |
| InChI Key | SKVWJFVXCSQZLS-UHFFFAOYSA-N |
| MDL Number | MFCD11501893 |
| Molecular Formula | C11H10ClNO6 |
| Molecular Weight | 287.6532 |
| SMILES | COC(=O)C(C(=O)OC)C1=C(Cl)C=C(C=C1)[N+]([O-])=O |
| Synonyms | DIMETHYL 2-(2-CHLORO-4-NITROPHENYL)MALONATE,
73088-10-5,
2-(2-Chloro-4-nitro-phenyl)-malonic acid dimethyl ester,
1,3-DIMETHYL 2-(2-CHLORO-4-NITROPHENYL)PROPANEDIOATE,
SCHEMBL1906515,
SKVWJFVXCSQZLS-UHFFFAOYSA-N,
AR3410,
MFCD11501893,
ZINC22199902,
AKOS027334993,
AS-45601,
2-(2-Chloro-4-nitrophenyl)malonic acid dimethyl ester,
2-(4-nitro-2chlorophenyl)-malonic acid dimethyl ester,
CID11414995,
Dimethyl 2-(2-chloro-4-nitro-phenyl)propanedioate,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.652g/mol |
| Monoisotopic Mass | 287.02g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number