| CAS Number | 1381944-42-8 |
| Catalog Number | AG001872(AGN-PC-0WNMQY) |
| Chemical Name | Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate |
| IUPAC Name | methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate |
| InChI | InChI=1S/C10H7FN2O4/c1-17-10(14)8(5-12)7-3-2-6(11)4-9(7)13(15)16/h2-4,8H,1H3 |
| InChI Key | JXZFDKZJFAHOIK-UHFFFAOYSA-N |
| MDL Number | MFCD22375003 |
| Molecular Formula | C10H7FN2O4 |
| Molecular Weight | 238.1720 |
| SMILES | N#CC(c1ccc(cc1[N+](=O)[O-])F)C(=O)OC |
| Synonyms | Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate,
1381944-42-8,
ACMC-209cfy,
C10H7FN2O4,
CTK8B0712,
DTXSID90743035,
ANW-20396,
MFCD22375003,
AX8240431,
TC-109141,
Methyl cyano(4-fluoro-2-nitrophenyl)acetate,
V2816,
B-8703,
Benzeneacetic acid, alpha-cyano-4-fluoro-2-nitro-, methyl ester,
Methyl2-cyano-2-(4-fluoro-2-nitrophenyl)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 | 238.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.174g/mol |
| Monoisotopic Mass | 238.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number