| CAS Number | 28987-47-5 |
| Catalog Number | AG002V34(AGN-PC-037YBN) |
| Chemical Name | 2-Butoxy-4-fluoro-1-nitrobenzene |
| IUPAC Name | 2-butoxy-4-fluoro-1-nitrobenzene |
| InChI | InChI=1S/C10H12FNO3/c1-2-3-6-15-10-7-8(11)4-5-9(10)12(13)14/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | KFNYFOBLEIPMEZ-UHFFFAOYSA-N |
| MDL Number | MFCD19684088 |
| Molecular Formula | C10H12FNO3 |
| Molecular Weight | 213.2056 |
| SMILES | [O-][N+](=O)c1ccc(cc1OCCCC)F |
| Synonyms | 2-Butoxy-4-fluoro-1-nitrobenzene,
28987-47-5,
ACMC-209h61,
SCHEMBL10477058,
CTK8B1386,
DTXSID80611895,
ANW-26519,
MFCD19684088,
ZINC74937713,
AKOS015888559,
Benzene, 2-butoxy-4-fluoro-1-nitro-,
AJ-121414,
TC-115264,
V4942,
B-8094,
I01-11411,
C10H12FNO3,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.208g/mol |
| Monoisotopic Mass | 213.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number