| CAS Number | 232275-47-7 |
| Catalog Number | AG002MKJ(AGN-PC-03TFBV) |
| Chemical Name | 4-Bromo-3,5-dimethoxyaniline |
| IUPAC Name | 4-bromo-3,5-dimethoxyaniline |
| InChI | InChI=1S/C8H10BrNO2/c1-11-6-3-5(10)4-7(12-2)8(6)9/h3-4H,10H2,1-2H3 |
| InChI Key | MJINXEUETHLORE-UHFFFAOYSA-N |
| MDL Number | MFCD14585223 |
| Molecular Formula | C8H10BrNO2 |
| Molecular Weight | 232.0745 |
| SMILES | COC1=C(Br)C(OC)=CC(N)=C1 |
| Synonyms | 4-bromo-3,5-dimethoxyaniline,
232275-47-7,
Benzenamine, 4-bromo-3,5-dimethoxy-,
4-bromo-3,5-dimethoxybenzenamine,
SCHEMBL2233002,
CTK0J5781,
DTXSID80626601,
MJINXEUETHLORE-UHFFFAOYSA-N,
4-bromo-3,5-dimethoxy-phenylamine,
4-Bromo-3,5-dimethoxybenzene amine,
ZINC40449716,
AKOS017558497,
NE39765,
BP-11516,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.077g/mol |
| Monoisotopic Mass | 230.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number