| CAS Number | 1345471-89-7 |
| Catalog Number | AG007ZXR(AGN-PC-0BGI55) |
| Chemical Name | 2-Bromo-6-methyl-4-nitroanisole |
| IUPAC Name | 1-bromo-2-methoxy-3-methyl-5-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO3/c1-5-3-6(10(11)12)4-7(9)8(5)13-2/h3-4H,1-2H3 |
| InChI Key | UXCQLNKFIBPGRC-UHFFFAOYSA-N |
| MDL Number | MFCD20441781 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | COC1=C(Br)C=C(C=C1C)[N+]([O-])=O |
| Synonyms | 2-Bromo-6-methyl-4-nitroanisole,
1345471-89-7,
ACMC-209bvq,
1-bromo-2-methoxy-3-methyl-5-nitrobenzene,
CTK8B0249,
DTXSID10718321,
ANW-19668,
MFCD20441781,
ZINC74937730,
FCH1602780,
OR18801,
PS-10537,
TC-108413,
Z9794,
B-8385,
C8H8BrNO3,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number