| CAS Number | 94832-26-5 |
| Catalog Number | AG00IIL0(AGN-PC-037YB8) |
| Chemical Name | 4-Fluoro-1-nitro-2-(pentyloxy)benzene |
| IUPAC Name | 4-fluoro-1-nitro-2-pentoxybenzene |
| InChI | InChI=1S/C11H14FNO3/c1-2-3-4-7-16-11-8-9(12)5-6-10(11)13(14)15/h5-6,8H,2-4,7H2,1H3 |
| InChI Key | VGSGLEZOQKJPFM-UHFFFAOYSA-N |
| MDL Number | MFCD20441778 |
| Molecular Formula | C11H14FNO3 |
| Molecular Weight | 227.2322 |
| SMILES | FC1=CC=C(C(=C1)OCCCCC)[N+](=O)[O-] |
| Synonyms | 4-Fluoro-1-nitro-2-(pentyloxy)benzene,
94832-26-5,
4-fluoro-2-pentoxy-1-nitro-benzene,
ACMC-209ru4,
SCHEMBL3514222,
CTK8B2746,
DTXSID40611891,
VGSGLEZOQKJPFM-UHFFFAOYSA-N,
ANW-40346,
MFCD20441778,
ZINC74937715,
AKOS015888675,
AJ-121416,
Benzene, 4-fluoro-1-nitro-2-(pentyloxy)-,
ST2405779,
TC-129091,
V9477,
B-8338,
I01-11702,
C11H14FNO3,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.235g/mol |
| Monoisotopic Mass | 227.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number