| CAS Number | 1355248-11-1 |
| Catalog Number | AG007LDG(AGN-PC-0WA4G5) |
| Chemical Name | 1-Bromo-2-fluoro-3-(isopropylaminomethyl)benzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine |
| InChI | InChI=1S/C10H13BrFN/c1-7(2)13-6-8-4-3-5-9(11)10(8)12/h3-5,7,13H,6H2,1-2H3 |
| InChI Key | SDJXPLGJENBBML-UHFFFAOYSA-N |
| MDL Number | MFCD21333078 |
| Molecular Formula | C10H13BrFN |
| Molecular Weight | 246.1193 |
| SMILES | CC(NCc1cccc(c1F)Br)C |
| Synonyms | 1-Bromo-2-fluoro-3-(isopropylaminomethyl)benzene,
1355248-11-1,
ACMC-209c3b,
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine,
CTK8B0436,
DTXSID60742813,
ANW-19941,
MFCD21333078,
ZINC85476948,
AKOS025294395,
TC-108686,
V2492,
[(3-bromo-2-fluorophenyl)methyl](propan-2-yl)amine,
C10H13BrFN,
|
| Complexity | 152 |
| 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 | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number