| CAS Number | 808133-98-4 |
| Catalog Number | AG008LPI(AGN-PC-07AGTF) |
| Chemical Name | Benzenamine,5-bromo-2-methoxy-4-methyl- |
| IUPAC Name | 5-bromo-2-methoxy-4-methylaniline |
| InChI | InChI=1S/C8H10BrNO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,10H2,1-2H3 |
| InChI Key | CQTXKFAOECJJFM-UHFFFAOYSA-N |
| MDL Number | MFCD16877781 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | NC1=CC(Br)=C(C)C=C1OC |
| Synonyms | 5-Bromo-2-methoxy-4-methylaniline,
808133-98-4,
Benzenamine,5-bromo-2-methoxy-4-methyl-,
SCHEMBL3852430,
CTK5E8174,
BENZENAMINE, 5-BROMO-2-METHOXY-4-METHYL- (9CI),
DTXSID20667598,
CQTXKFAOECJJFM-UHFFFAOYSA-N,
MFCD16877781,
ZINC39109754,
AKOS014776215,
NE24975,
5-Bromo-2-methoxy-4-methylbenzeneamine,
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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 | 214.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number