| CAS Number | 941867-91-0 |
| Catalog Number | AG00GUPV(AGN-PC-072IE5) |
| Chemical Name | 4-(Benzyloxy)-1-fluoro-2-nitrobenzene |
| IUPAC Name | 1-fluoro-2-nitro-4-phenylmethoxybenzene |
| InChI | InChI=1S/C13H10FNO3/c14-12-7-6-11(8-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | FWBDUAPLKFBELK-UHFFFAOYSA-N |
| MDL Number | MFCD09033873 |
| Molecular Formula | C13H10FNO3 |
| Molecular Weight | 247.2218 |
| SMILES | [O-][N+](=O)c1cc(OCc2ccccc2)ccc1F |
| Synonyms | 4-(BENZYLOXY)-1-FLUORO-2-NITROBENZENE,
941867-91-0,
1-fluoro-2-nitro-4-phenylmethoxybenzene,
PubChem18128,
SCHEMBL2022545,
DTXSID20657853,
FWBDUAPLKFBELK-UHFFFAOYSA-N,
4-benzoxy-2-nitro-1-fluorobenzene,
ZINC8764162,
MFCD09033873,
4-benzyloxy-1-fluoro-2-nitro-benzene,
AKOS015902197,
FCH2821987,
AJ-59243,
AK136138,
AN-12110,
4CH-003894,
TL80090012,
I14-13773,
A16130,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.225g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number