| CAS Number | 926245-29-6 |
| Catalog Number | AG00IH9P(AGN-PC-0WAA1S) |
| Chemical Name | 4-Bromo-2-(t-butylaminomethyl)-1-fluorobenzene |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C11H15BrFN/c1-11(2,3)14-7-8-6-9(12)4-5-10(8)13/h4-6,14H,7H2,1-3H3 |
| InChI Key | XRLWPFDRVNNGIH-UHFFFAOYSA-N |
| MDL Number | MFCD09050432 |
| Molecular Formula | C11H15BrFN |
| Molecular Weight | 260.1459 |
| SMILES | CC(NCC1=C(F)C=CC(Br)=C1)(C)C |
| Synonyms | 4-Bromo-2-(t-butylaminomethyl)-1-fluorobenzene,
926245-29-6,
ACMC-209rgt,
CTK6B0242,
DTXSID70588345,
ANW-39867,
MFCD09050432,
ZINC22149216,
AKOS000134092,
TC-128612,
V9200,
[(5-bromo-2-fluorophenyl)methyl](tert-butyl)amine,
N-(5-BROMO-2-FLUOROBENZYL)-N-(TERT-BUTYL)AMINE,
N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropan-2-amine,
C11H15BrFN,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.15g/mol |
| Monoisotopic Mass | 259.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number