| CAS Number | 1355247-92-5 |
| Catalog Number | AG006YUH(AGN-PC-0WA4G8) |
| Chemical Name | 1-Bromo-2-fluoro-3-(phenylaminomethyl)benzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]aniline |
| InChI | InChI=1S/C13H11BrFN/c14-12-8-4-5-10(13(12)15)9-16-11-6-2-1-3-7-11/h1-8,16H,9H2 |
| InChI Key | FPKPESXDZQQKGX-UHFFFAOYSA-N |
| MDL Number | MFCD21333083 |
| Molecular Formula | C13H11BrFN |
| Molecular Weight | 280.1355 |
| SMILES | Fc1c(cccc1Br)CNc1ccccc1 |
| Synonyms | 1-Bromo-2-fluoro-3-(phenylaminomethyl)benzene,
1355247-92-5,
N-[(3-bromo-2-fluorophenyl)methyl]aniline,
ACMC-209c2u,
CTK8B0419,
DTXSID60742797,
ANW-19924,
MFCD21333083,
ZINC85476933,
TC-108669,
V2474,
C13H11BrFN,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.14g/mol |
| Monoisotopic Mass | 279.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number