| CAS Number | 28987-45-3 |
| Catalog Number | AG002V36(AGN-PC-0WNQNM) |
| Chemical Name | 4-Fluoro-1-nitro-2-propoxybenzene |
| IUPAC Name | 4-fluoro-1-nitro-2-propoxybenzene |
| InChI | InChI=1S/C9H10FNO3/c1-2-5-14-9-6-7(10)3-4-8(9)11(12)13/h3-4,6H,2,5H2,1H3 |
| InChI Key | WIERVAJLYZESGW-UHFFFAOYSA-N |
| MDL Number | MFCD19237155 |
| Molecular Formula | C9H10FNO3 |
| Molecular Weight | 199.1790 |
| SMILES | CCCOC1=C(C=CC(F)=C1)[N+]([O-])=O |
| Synonyms | 4-Fluoro-1-nitro-2-propoxybenzene,
28987-45-3,
4-fluoro-1-nitro-2-propoxy-benzene,
ACMC-209h5z,
SCHEMBL3514013,
CTK8B1384,
DTXSID70716520,
WIERVAJLYZESGW-UHFFFAOYSA-N,
4-fluoro-2-propoxy-1-nitrobenzene,
ANW-26517,
MFCD19237155,
ZINC74934289,
AKOS015888674,
Benzene, 4-fluoro-1-nitro-2-propoxy-,
AJ-121354,
TC-115262,
V4940,
A-2826,
I01-11701,
C9H10FNO3,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.181g/mol |
| Monoisotopic Mass | 199.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^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