| CAS Number | 1001095-14-2 |
| Catalog Number | AG0096M5(AGN-PC-0NUWVI) |
| Chemical Name | 4-fluoro-3-methylphenyl chloroformate |
| IUPAC Name | (4-fluoro-3-methylphenyl) carbonochloridate |
| InChI | InChI=1S/C8H6ClFO2/c1-5-4-6(12-8(9)11)2-3-7(5)10/h2-4H,1H3 |
| InChI Key | XFECTXXCJBOFJE-UHFFFAOYSA-N |
| MDL Number | MFCD08144074 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | CC1=C(F)C=CC(OC(Cl)=O)=C1 |
| Synonyms | 4-fluoro-3-methylphenyl carbonochloridate,
1001095-14-2,
4-fluoro-3-methylphenyl chloroformate,
4-Fluoro-3-methylphenylcarbonochloridate,
SCHEMBL4780465,
XFECTXXCJBOFJE-UHFFFAOYSA-N,
MFCD08144074,
ZINC19615523,
AKOS005064048,
NE18902,
3-METHYL-4-FLUOROPHENYL CHLOROFORMATE,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.582g/mol |
| Monoisotopic Mass | 188.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number