| CAS Number | 948294-26-6 |
| Catalog Number | AG00IIKU(AGN-PC-0WAL5O) |
| Chemical Name | 2-Fluoro-5-methyl-4-nitrobromobenzene |
| IUPAC Name | 1-bromo-2-fluoro-5-methyl-4-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3 |
| InChI Key | ZIULASDABKIDOV-UHFFFAOYSA-N |
| MDL Number | MFCD07777174 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | O=[N+](C1=C(C)C=C(Br)C(F)=C1)[O-] |
| Synonyms | 1-bromo-2-fluoro-5-methyl-4-nitrobenzene,
948294-26-6,
2-fluoro-5-methyl-4-nitrobromobenzene,
1-Bromo-2-fluoro-5-methyl-4-nitro-benzene,
Benzene, 1-romo-2-luoro-5-ethyl-4-itro-,
5-Bromo-4-fluoro-2-nitrotoluene,
SCHEMBL17466092,
SCHEMBL18959359,
CTK5I2781,
KS-000005JU,
MFCD07777174,
ZINC15443466,
FCH1385426,
HCH0019852,
AS-52961,
PC500249,
SY039022,
CS-0052592,
MFCD07777174 (95%),
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.024g/mol |
| Monoisotopic Mass | 232.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number