| CAS Number | 64459-25-2 |
| Catalog Number | AG01B3EE(AGN-PC-0NL686) |
| Chemical Name | 4-Cyanophenyl chloroformate |
| IUPAC Name | (4-cyanophenyl) carbonochloridate |
| InChI | InChI=1S/C8H4ClNO2/c9-8(11)12-7-3-1-6(5-10)2-4-7/h1-4H |
| InChI Key | UMOIFGNHLTVCEK-UHFFFAOYSA-N |
| MDL Number | MFCD24141154 |
| Molecular Formula | C8H4ClNO2 |
| Molecular Weight | 181.5759 |
| SMILES | ClC(=O)OC1=CC=C(C=C1)C#N |
| Synonyms | 4-cyanophenyl chloroformate,
64459-25-2,
SCHEMBL2189997,
UMOIFGNHLTVCEK-UHFFFAOYSA-N,
ZINC34767850,
AKOS020226598,
Carbonochloridic acid, 4-cyanophenyl ester,
4-cyanophenyl carbonochloridate,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.575g/mol |
| Monoisotopic Mass | 180.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number