| CAS Number | 1019558-55-4 |
| Catalog Number | AG00062B(AGN-PC-0WA584) |
| Chemical Name | 2-(Benzylaminomethyl)-4-bromo-1-fluorobenzene |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]-1-phenylmethanamine |
| InChI | InChI=1S/C14H13BrFN/c15-13-6-7-14(16)12(8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2 |
| InChI Key | NDINODOEORPMRD-UHFFFAOYSA-N |
| MDL Number | MFCD11140720 |
| Molecular Formula | C14H13BrFN |
| Molecular Weight | 294.1621 |
| SMILES | Brc1ccc(c(c1)CNCc1ccccc1)F |
| Synonyms | 2-(Benzylaminomethyl)-4-bromo-1-fluorobenzene,
1019558-55-4,
ACMC-2097xp,
N-Benzyl-1-(5-bromo-2-fluorophenyl)methanamine,
CTK8A9014,
DTXSID90651449,
ANW-14555,
MFCD11140720,
ZINC19885998,
AKOS000227381,
TC-103300,
Z6428,
Benzenemethanamine, 5-bromo-2-fluoro-N-(phenylmethyl)-,
C14H13BrFN,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.167g/mol |
| Monoisotopic Mass | 293.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number