| CAS Number | 1355247-30-1 |
| Catalog Number | AG009WL2(AGN-PC-0WA4GA) |
| Chemical Name | 1-Bromo-2-fluoro-3-(propylaminomethyl)benzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C10H13BrFN/c1-2-6-13-7-8-4-3-5-9(11)10(8)12/h3-5,13H,2,6-7H2,1H3 |
| InChI Key | AJMVFASBWROMOG-UHFFFAOYSA-N |
| MDL Number | MFCD21333085 |
| Molecular Formula | C10H13BrFN |
| Molecular Weight | 246.1193 |
| SMILES | CCCNCc1cccc(c1F)Br |
| Synonyms | 1-Bromo-2-fluoro-3-(propylaminomethyl)benzene,
1355247-30-1,
ACMC-209c1u,
N-[(3-bromo-2-fluorophenyl)methyl]propan-1-amine,
CTK8B0384,
DTXSID50742761,
ANW-19888,
MFCD21333085,
ZINC85476876,
TC-108633,
Z9969,
C10H13BrFN,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.123g/mol |
| Monoisotopic Mass | 245.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number