| CAS Number | 74660-86-9 |
| Catalog Number | AG005UYW(AGN-PC-0WNMNP) |
| Chemical Name | 1-(3-Bromophenoxy)-2-fluoro-4-nitrobenzene |
| IUPAC Name | 1-(3-bromophenoxy)-2-fluoro-4-nitrobenzene |
| InChI | InChI=1S/C12H7BrFNO3/c13-8-2-1-3-10(6-8)18-12-5-4-9(15(16)17)7-11(12)14/h1-7H |
| InChI Key | LEWZDBZBTWRFQC-UHFFFAOYSA-N |
| MDL Number | MFCD11193182 |
| Molecular Formula | C12H7BrFNO3 |
| Molecular Weight | 312.0913 |
| SMILES | C1(OC2=CC=CC(Br)=C2)=CC=C([N+]([O-])=O)C=C1F |
| Synonyms | 1-(3-Bromophenoxy)-2-fluoro-4-nitrobenzene,
74660-86-9,
ACMC-209ovo,
CTK8B2270,
DTXSID60651870,
ANW-36514,
MFCD11193182,
ZINC20474709,
AKOS009259481,
SEL10145054,
AJ-77782,
AX8239943,
TC-125259,
V7589,
A-2975,
I01-11157,
C12H7BrFNO3,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.094g/mol |
| Monoisotopic Mass | 310.959g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number