| CAS Number | 39053-43-5 |
| Catalog Number | AG00I7PS(AGN-PC-0WAZ4Z) |
| Chemical Name | 1-Bromo-2,4-dimethyl-3-nitrobenzene |
| IUPAC Name | 1-bromo-2,4-dimethyl-3-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO2/c1-5-3-4-7(9)6(2)8(5)10(11)12/h3-4H,1-2H3 |
| InChI Key | LHRGPLOPZIPERM-UHFFFAOYSA-N |
| MDL Number | MFCD00092653 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | O=[N+](C1=C(C)C(Br)=CC=C1C)[O-] |
| Synonyms | 1-bromo-2,4-dimethyl-3-nitrobenzene,
39053-43-5,
AC1MBN5S,
AC1Q2JEU,
SCHEMBL1199723,
LHRGPLOPZIPERM-UHFFFAOYSA-N,
ZINC2173220,
AKOS004908150,
FCH1329985,
MCULE-1306431580,
KS-0000247Q,
AJ-34100,
OR310930,
AX8284318,
ZINC02173220,
CID2753380,
CS-4310,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number