| CAS Number | 1261776-69-5 |
| Catalog Number | AG01C35J |
| Chemical Name | (2-Bromo-5-methylphenyl)methanamine |
| IUPAC Name | (2-bromo-5-methylphenyl)methanamine |
| InChI | InChI=1S/C8H10BrN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,5,10H2,1H3 |
| InChI Key | QCDYJPCWTBSCQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11045191 |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.0757 |
| SMILES | BrC1=C(C=C(C=C1)C)CN |
| Synonyms | (2-bromo-5-methylphenyl)methanamine,
1261776-69-5,
2-Bromo-5-methylbenzylamine,
SCHEMBL13507390,
ZINC82644181,
AKOS017554789,
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| Complexity | 105 |
| 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 | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number