| CAS Number | 1355248-08-6 |
| Catalog Number | AG007LDI(AGN-PC-0WA4GH) |
| Chemical Name | 1-Bromo-3-(ethylaminomethyl)-2-fluorobenzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]ethanamine |
| InChI | InChI=1S/C9H11BrFN/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5,12H,2,6H2,1H3 |
| InChI Key | DHRNGOKGZQVRLP-UHFFFAOYSA-N |
| MDL Number | MFCD21333081 |
| Molecular Formula | C9H11BrFN |
| Molecular Weight | 232.0927 |
| SMILES | CCNCc1cccc(c1F)Br |
| Synonyms | 1-Bromo-3-(ethylaminomethyl)-2-fluorobenzene,
1355248-08-6,
N-[(3-bromo-2-fluorophenyl)methyl]ethanamine,
ACMC-209c38,
CTK8B0433,
DTXSID80742810,
ANW-19938,
MFCD21333081,
ZINC85476945,
AKOS024438494,
TC-108683,
V2489,
C9H11BrFN,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.096g/mol |
| Monoisotopic Mass | 231.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number