| CAS Number | 389571-34-0 |
| Catalog Number | AG00CLNS(AGN-PC-0RI4VK) |
| Chemical Name | Methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate |
| IUPAC Name | methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate |
| InChI | InChI=1S/C10H7ClN2O4/c1-17-10(14)8(5-12)7-4-6(11)2-3-9(7)13(15)16/h2-4,8H,1H3 |
| InChI Key | KWVVCRSFXUOEKY-UHFFFAOYSA-N |
| MDL Number | MFCD22383661 |
| Molecular Formula | C10H7ClN2O4 |
| Molecular Weight | 254.6266 |
| SMILES | [O-][N+](=O)c1ccc(cc1C(C(=O)OC)C#N)Cl |
| Synonyms | Methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate,
389571-34-0,
ACMC-209j2p,
C10H7ClN2O4,
SCHEMBL4850984,
CTK8B1597,
DTXSID90625943,
KWVVCRSFXUOEKY-UHFFFAOYSA-N,
ANW-28991,
AKOS025295276,
TC-117736,
V5671,
Methyl (5-chloro-2-nitrophenyl)(cyano)acetate,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.626g/mol |
| Monoisotopic Mass | 254.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number