| CAS Number | 264194-28-7 |
| Catalog Number | AG00I50R(AGN-PC-0WOHPH) |
| Chemical Name | 3-Bromo-4,5-dimethylaniline |
| IUPAC Name | 3-bromo-4,5-dimethylaniline |
| InChI | InChI=1S/C8H10BrN/c1-5-3-7(10)4-8(9)6(5)2/h3-4H,10H2,1-2H3 |
| InChI Key | HSBYBGRURGCYRB-UHFFFAOYSA-N |
| MDL Number | MFCD24448405 |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.0757 |
| SMILES | Nc1cc(C)c(c(c1)Br)C |
| Synonyms | 3-bromo-4,5-dimethylaniline,
264194-28-7,
Benzenamine, 3-bromo-4,5-dimethyl-,
SCHEMBL13584637,
MFCD24448405,
ZINC78921628,
AKOS024209280,
AS-36855,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.079g/mol |
| Monoisotopic Mass | 199g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number