| CAS Number | 1381944-31-5 |
| Catalog Number | AG00185X(AGN-PC-0WNQNV) |
| Chemical Name | 5-Bromo-2-butoxy-3-nitrotoluene |
| IUPAC Name | 5-bromo-2-butoxy-1-methyl-3-nitrobenzene |
| InChI | InChI=1S/C11H14BrNO3/c1-3-4-5-16-11-8(2)6-9(12)7-10(11)13(14)15/h6-7H,3-5H2,1-2H3 |
| InChI Key | BUAGNQPTTFVDTK-UHFFFAOYSA-N |
| MDL Number | MFCD22375006 |
| Molecular Formula | C11H14BrNO3 |
| Molecular Weight | 288.1378 |
| SMILES | CCCCOc1c(C)cc(cc1[N+](=O)[O-])Br |
| Synonyms | 1381944-31-5,
5-Bromo-2-butoxy-3-nitrotoluene,
5-Bromo-2-butoxy-1-methyl-3-nitrobenzene,
ACMC-209cfq,
CTK8B0704,
DTXSID60743027,
ANW-20388,
MFCD22375006,
ZINC82046480,
AJ-124175,
AX8240313,
TC-109133,
V2808,
B-9052,
Benzene, 5-bromo-2-butoxy-1-methyl-3-nitro-,
C11H14BrNO3,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.141g/mol |
| Monoisotopic Mass | 287.016g/mol |
| Rotatable Bond Count | 4 |
| 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