| CAS Number | 680983-45-3 |
| Catalog Number | AG01BDYL(AGN-PC-0NHSDQ) |
| Chemical Name | 4-bromo-N-cyclopropylaniline |
| IUPAC Name | 4-bromo-N-cyclopropylaniline |
| InChI | InChI=1S/C9H10BrN/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9,11H,5-6H2 |
| InChI Key | ZLKSFXIYHJMEAD-UHFFFAOYSA-N |
| MDL Number | MFCD24392814 |
| Molecular Formula | C9H10BrN |
| Molecular Weight | 212.0864 |
| SMILES | BrC1=CC=C(NC2CC2)C=C1 |
| Synonyms | 4-bromo-N-cyclopropylaniline,
680983-45-3,
SCHEMBL2587839,
ZINC38856241,
AKOS023208589,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.09g/mol |
| Monoisotopic Mass | 211g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number