| CAS Number | 943722-02-9 |
| Catalog Number | AG01BGRK |
| Chemical Name | 3-Bromo-2-methylbenzenemethanamine |
| IUPAC Name | (3-bromo-2-methylphenyl)methanamine |
| InChI | InChI=1S/C8H10BrN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,5,10H2,1H3 |
| InChI Key | BOMWYUIURJVHSH-UHFFFAOYSA-N |
| MDL Number | MFCD18392010 |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.0757 |
| SMILES | CC1=C(CN)C=CC=C1Br |
| Synonyms | 943722-02-9,
3-Bromo-2-methylbenzenemethanamine,
(3-BROMO-2-METHYLPHENYL)METHANAMINE,
3-Bromo-2-methylbenzylamine,
3-bromo-2-methyl-benzylamine,
SCHEMBL608459,
BOMWYUIURJVHSH-UHFFFAOYSA-N,
ZINC83343317,
AKOS014880717,
[(3-Bromo-2-methylphenyl)methyl]amine,
Benzenemethanamine, 3-bromo-2-methyl-,
SC-42430,
FT-0717385,
116026-99-4,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number