| CAS Number | 6132-45-2 |
| Catalog Number | AG01FF7Z(AGN-PC-0JTCER) |
| Chemical Name | Ethyl (4-nitrophenyl) carbonate |
| IUPAC Name | ethyl (4-nitrophenyl) carbonate |
| InChI | InChI=1S/C9H9NO5/c1-2-14-9(11)15-8-5-3-7(4-6-8)10(12)13/h3-6H,2H2,1H3 |
| InChI Key | OFJLSOXXIMLDDL-UHFFFAOYSA-N |
| MDL Number | MFCD00962732 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | C(OCC)(OC1=CC=C(C=C1)[N+](=O)[O-])=O |
| Synonyms | Ethyl 4-nitrophenyl carbonate,
6132-45-2,
Ethyl p-nitrophenyl carbonate,
OFJLSOXXIMLDDL-UHFFFAOYSA-N,
AC1LBPOE,
SCHEMBL278663,
ethyl (4-nitrophenyl) carbonate,
SCHEMBL14051183,
Ethyl 4-nitrophenyl carbonate #,
CID586863,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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