| CAS Number | 84478-89-7 |
| Catalog Number | AG00GNBC(AGN-PC-0L01YY) |
| Chemical Name | 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate |
| IUPAC Name | (2-chloro-4-fluoro-5-nitrophenyl) methyl carbonate |
| InChI | InChI=1S/C8H5ClFNO5/c1-15-8(12)16-7-3-6(11(13)14)5(10)2-4(7)9/h2-3H,1H3 |
| InChI Key | BTQIJXHWQVDZJL-UHFFFAOYSA-N |
| MDL Number | MFCD05669850 |
| Molecular Formula | C8H5ClFNO5 |
| Molecular Weight | 249.5804 |
| SMILES | ClC1(=C(OC(=O)OC)C=C([N+](=O)[O-])C(=C1)F) |
| Synonyms | 2-chloro-4-fluoro-5-nitrophenyl methyl carbonate,
84478-89-7,
(2-chloro-4-fluoro-5-nitrophenyl) methyl carbonate,
2-chloro-4-fluoro-5-nitro-methoxycarbonyloxybenzene,
AC1MX91W,
4-Chloro-5-methoxycarbonyloxy-2-fluoronitrobenzene,
SCHEMBL2030437,
BTQIJXHWQVDZJL-UHFFFAOYSA-N,
ZINC4107731,
MFCD05669850,
AKOS005108028,
MCULE-2358426897,
MS-2249,
CS-0038456,
4-chloro-2-fluoro-5-methoxycarbonyloxy-1-nitrobenzene,
ZINC04107731,
CID3786690,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.578g/mol |
| Monoisotopic Mass | 248.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number